#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 3.48 -0.48 1.45 -0.14 -1.26 -5.01 119.74 117.78 1ib7 s LYS 5 Ca 0.00 -0.58 -0.15 0.00 -1.36 0.00 0.00 55.97 53.89 1ib7 s LYS 5 Cb 0.00 -3.07 0.09 0.00 -1.68 0.00 0.00 37.83 33.17 1ib7 s LYS 5 CO 0.00 -0.13 0.40 0.71 -0.76 0.00 0.00 175.35 175.57 1ib7 s TYR 6 N 1.35 3.26 0.14 3.18 2.02 -1.24 -0.78 117.35 125.28 1ib7 s TYR 6 Ca 0.04 -1.11 -0.11 0.00 -0.37 0.00 0.00 57.07 55.52 1ib7 s TYR 6 Cb -0.14 -3.30 -0.06 0.00 -0.40 0.00 0.00 41.96 38.05 1ib7 s TYR 6 CO -0.01 -0.86 0.49 0.71 -1.57 0.00 0.00 175.55 174.31 1ib7 s TYR 7 N 1.60 3.56 0.45 2.71 2.02 0.82 -4.59 117.35 123.91 1ib7 s TYR 7 Ca 0.04 0.91 -0.23 0.00 -0.37 0.00 0.00 57.07 57.41 1ib7 s TYR 7 Cb -0.25 -2.26 -0.08 0.00 -0.40 0.00 0.00 41.96 38.97 1ib7 s TYR 7 CO 0.05 0.43 1.12 0.95 -1.57 0.00 0.00 175.55 176.54 1ib7 s THR 8 N -1.51 3.33 0.41 -0.71 -4.23 -1.26 0.24 115.64 111.90 1ib7 s THR 8 Ca 0.38 0.98 0.23 0.00 -1.18 0.00 0.00 61.69 62.11 1ib7 s THR 8 Cb -0.14 -3.49 0.23 0.00 1.34 0.00 0.00 72.50 70.44 1ib7 s THR 8 CO 0.19 -0.02 1.68 0.17 -0.54 0.00 0.00 174.62 176.10 1ib7 h LEU 9 N 2.12 0.00 -0.30 4.79 -0.00 -1.94 0.52 115.31 120.50 1ib7 h LEU 9 Ca -0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.22 1ib7 h LEU 9 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1ib7 h LEU 9 CO 0.61 0.00 -0.48 -0.33 -0.00 0.00 0.00 178.44 178.24 1ib7 h GLU 10 N 0.00 0.86 0.00 0.17 4.39 -1.98 -3.27 114.58 114.74 1ib7 h GLU 10 Ca 0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1ib7 h GLU 10 Cb 0.64 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ib7 h GLU 10 CO 0.00 1.15 0.00 -1.91 -1.16 0.00 0.00 179.01 177.09 1ib7 n GLU 11 N -4.07 0.00 -0.24 2.33 4.07 0.18 -1.28 120.64 121.64 1ib7 n GLU 11 Ca -0.04 0.71 -0.02 0.00 -0.06 0.00 0.00 57.16 57.75 1ib7 n GLU 11 Cb 0.59 -1.43 0.01 0.00 -0.06 0.00 0.00 31.44 30.55 1ib7 n GLU 11 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1ib7 n ILE 12 N -2.31 -0.33 -0.07 6.31 -0.00 -1.25 0.21 119.36 121.92 1ib7 n ILE 12 Ca 0.00 1.42 -0.10 0.00 -0.00 0.00 0.00 62.75 64.07 1ib7 n ILE 12 Cb 0.00 -1.85 -0.04 0.00 -0.00 0.00 0.00 39.64 37.75 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 -0.34 -1.03 6.28 1.08 -1.42 0.41 115.11 120.10 1ib7 h GLN 13 Ca 0.19 0.02 0.26 0.00 -1.45 0.00 0.00 58.65 57.68 1ib7 h GLN 13 Cb 0.34 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 1ib7 h GLN 13 CO -0.59 -0.22 0.67 0.87 -0.95 0.00 0.00 178.83 178.61 1ib7 h LYS 14 N -0.35 0.35 -2.30 1.46 1.79 0.39 -0.03 116.57 117.88 1ib7 h LYS 14 Ca 0.13 -0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 57.95 1ib7 h LYS 14 Cb 0.57 -0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 30.99 1ib7 h LYS 14 CO -0.48 0.23 1.38 0.72 -1.08 0.00 0.00 179.45 180.21 1ib7 n HIS 15 N -4.56 2.13 -1.20 -1.35 8.25 0.14 -4.41 115.22 114.22 1ib7 n HIS 15 Ca 0.24 -2.38 -0.02 0.00 -0.26 0.00 0.00 57.72 55.30 1ib7 n HIS 15 Cb 0.88 -1.58 0.24 0.00 1.12 0.00 0.00 29.99 30.65 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 1.21 2.59 -4.23 -0.41 4.81 -0.03 -1.99 118.16 120.12 1ib7 n LYS 16 Ca 0.55 -3.03 -0.13 0.00 -0.87 0.00 0.00 58.31 54.83 1ib7 n LYS 16 Cb 0.39 -1.93 -0.10 0.00 0.02 0.00 0.00 35.03 33.41 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1ib7 s ASP 17 N -1.96 1.13 0.16 3.14 1.47 -1.14 -4.99 116.67 114.49 1ib7 s ASP 17 Ca 0.47 -1.16 -0.18 0.00 1.18 0.00 0.00 52.55 52.85 1ib7 s ASP 17 Cb 0.40 0.13 0.08 0.00 -0.34 0.00 0.00 42.92 43.19 1ib7 s ASP 17 CO 0.06 -0.57 1.65 0.28 0.68 0.00 0.00 175.17 177.27 1ib7 h SER 18 N 2.73 -0.50 -1.00 2.11 0.02 -1.97 -0.76 113.55 114.19 1ib7 h SER 18 Ca -0.36 0.13 0.19 0.00 -0.84 0.00 0.00 61.79 60.90 1ib7 h SER 18 Cb 1.20 0.29 -0.18 0.00 0.14 0.00 0.00 62.40 63.85 1ib7 h SER 18 CO 0.63 -0.18 -0.29 0.29 -1.14 0.00 0.00 176.83 176.13 1ib7 n LYS 19 N -5.33 -0.14 -3.55 3.45 4.76 -1.26 -3.77 118.16 112.32 1ib7 n LYS 19 Ca 0.02 1.55 -0.28 0.00 -2.87 0.00 0.00 58.31 56.72 1ib7 n LYS 19 Cb 0.25 -2.31 -0.15 0.00 -1.84 0.00 0.00 35.03 30.97 1ib7 n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1ib7 s SER 20 N -5.29 3.31 -0.26 4.39 0.01 -0.35 -4.94 113.70 110.57 1ib7 s SER 20 Ca -0.15 -1.16 -0.04 0.00 1.31 0.00 0.00 55.95 55.91 1ib7 s SER 20 Cb 0.25 -0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.16 1ib7 s SER 20 CO 0.76 -0.42 -0.01 -0.89 0.41 0.00 0.00 173.24 173.09 1ib7 s THR 21 N 2.10 3.35 0.32 1.44 2.01 -0.85 -2.76 115.64 121.25 1ib7 s THR 21 Ca 0.08 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.37 1ib7 s THR 21 Cb -0.16 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1ib7 s THR 21 CO -0.32 0.20 -0.00 0.26 -0.69 0.00 0.00 174.62 174.07 1ib7 s TRP 22 N 1.42 2.56 -0.27 4.92 0.52 -0.84 -3.08 118.94 124.16 1ib7 s TRP 22 Ca 0.02 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 55.65 1ib7 s TRP 22 Cb -0.16 -1.38 0.10 0.00 -1.15 0.00 0.00 33.47 30.87 1ib7 s TRP 22 CO -0.02 0.52 0.62 0.54 0.02 0.00 0.00 176.95 178.63 1ib7 s VAL 23 N -2.47 -0.49 -0.07 4.03 0.11 -1.23 -1.14 120.40 119.14 1ib7 s VAL 23 Ca 0.34 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.12 1ib7 s VAL 23 Cb -0.02 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1ib7 s VAL 23 CO 0.19 0.01 1.43 -0.63 -3.33 0.00 0.00 175.10 172.77 1ib7 s ILE 24 N 2.25 3.87 -0.04 7.04 1.01 -1.20 -0.47 121.20 133.66 1ib7 s ILE 24 Ca -0.07 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.73 1ib7 s ILE 24 Cb -0.09 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1ib7 s ILE 24 CO -0.18 -0.06 -0.07 -0.76 0.00 0.00 0.00 174.94 173.86 1ib7 s LEU 25 N 3.26 1.62 -1.55 2.97 1.02 0.83 -2.90 118.68 123.93 1ib7 s LEU 25 Ca 0.64 -0.17 -0.20 0.00 0.02 0.00 0.00 54.13 54.42 1ib7 s LEU 25 Cb -0.29 -0.52 0.20 0.00 0.02 0.00 0.00 46.19 45.60 1ib7 s LEU 25 CO 0.23 0.02 0.49 1.41 0.02 0.00 0.00 176.35 178.52 1ib7 n HIS 26 N 3.60 -0.99 -2.70 0.29 8.25 -1.26 0.22 115.22 122.63 1ib7 n HIS 26 Ca -0.21 0.57 -0.09 0.00 -0.26 0.00 0.00 57.72 57.73 1ib7 n HIS 26 Cb 0.53 -1.55 0.05 0.00 1.12 0.00 0.00 29.99 30.14 1ib7 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ib7 n HIS 27 N -3.46 -1.16 -3.64 4.41 8.25 -1.26 -5.04 115.22 113.31 1ib7 n HIS 27 Ca 0.10 0.48 -0.03 0.00 -0.26 0.00 0.00 57.72 58.01 1ib7 n HIS 27 Cb 0.38 -3.57 -0.07 0.00 1.12 0.00 0.00 29.99 27.85 1ib7 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ib7 s LYS 28 N -4.57 0.36 0.32 -0.41 -2.85 0.60 -4.62 119.74 108.56 1ib7 s LYS 28 Ca 0.03 0.59 -0.27 0.00 -1.00 0.00 0.00 55.97 55.32 1ib7 s LYS 28 Cb -0.00 0.09 -0.09 0.00 -2.06 0.00 0.00 37.83 35.76 1ib7 s LYS 28 CO 0.38 -0.07 1.01 0.14 0.10 0.00 0.00 175.35 176.91 1ib7 s VAL 29 N 1.17 3.85 -0.32 1.79 -7.23 -0.80 0.29 120.40 119.16 1ib7 s VAL 29 Ca -0.07 1.65 0.02 0.00 -1.81 0.00 0.00 61.98 61.76 1ib7 s VAL 29 Cb -0.04 -3.96 0.08 0.00 0.56 0.00 0.00 36.38 33.02 1ib7 s VAL 29 CO -0.14 0.23 0.01 -0.31 -0.31 0.00 0.00 175.10 174.58 1ib7 s TYR 30 N -1.43 3.50 -1.22 2.82 1.51 0.38 -4.26 117.35 118.66 1ib7 s TYR 30 Ca 0.49 -2.53 -0.21 0.00 -1.01 0.00 0.00 57.07 53.81 1ib7 s TYR 30 Cb -0.24 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 1ib7 s TYR 30 CO 0.31 -0.91 1.87 0.34 -1.11 0.00 0.00 175.55 176.05 1ib7 s ASP 31 N 1.14 5.63 -0.39 2.29 2.15 -0.49 -3.55 116.67 123.46 1ib7 s ASP 31 Ca 0.01 -1.91 0.05 0.00 0.43 0.00 0.00 52.55 51.14 1ib7 s ASP 31 Cb -0.20 -2.59 0.65 0.00 -0.30 0.00 0.00 42.92 40.49 1ib7 s ASP 31 CO -0.05 -2.44 1.83 0.00 -0.17 0.00 0.00 175.17 174.33 1ib7 n LEU 32 N 12.39 6.33 -0.16 -1.34 -0.00 -1.18 -4.58 117.00 128.46 1ib7 n LEU 32 Ca 0.46 -3.35 -0.03 0.00 -0.00 0.00 0.00 56.01 53.09 1ib7 n LEU 32 Cb 0.46 -0.79 0.04 0.00 -0.00 0.00 0.00 43.42 43.13 1ib7 n LEU 32 CO 0.71 0.95 0.77 0.74 -0.00 0.00 0.00 177.39 180.55 1ib7 h THR 33 N 1.41 0.51 -0.40 1.47 2.02 -1.83 1.65 112.91 117.74 1ib7 h THR 33 Ca 0.50 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.56 1ib7 h THR 33 Cb 2.61 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1ib7 h THR 33 CO 0.94 0.00 -0.21 0.50 0.37 0.00 0.00 175.52 177.13 1ib7 h LYS 34 N 0.01 0.84 -0.91 6.66 3.64 -1.90 -2.65 116.57 122.27 1ib7 h LYS 34 Ca 0.25 -0.37 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1ib7 h LYS 34 Cb 0.38 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1ib7 h LYS 34 CO -0.51 1.01 0.18 0.98 -2.27 0.00 0.00 179.45 178.84 1ib7 n TYR 35 N -4.23 1.32 -0.04 1.91 9.36 -0.16 -4.07 117.16 121.25 1ib7 n TYR 35 Ca -0.02 -0.81 -0.17 0.00 3.32 0.00 0.00 57.90 60.22 1ib7 n TYR 35 Cb 0.44 -0.47 -0.13 0.00 -0.63 0.00 0.00 39.34 38.54 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 1.45 0.16 -0.31 2.98 7.12 0.27 -2.94 115.31 124.03 1ib7 h LEU 36 Ca 0.18 -0.90 0.00 0.00 0.13 0.00 0.00 57.88 57.28 1ib7 h LEU 36 Cb 1.63 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 1ib7 h LEU 36 CO 0.42 1.23 -0.34 -1.84 -0.13 0.00 0.00 178.44 177.78 1ib7 n GLU 37 N -4.39 0.54 0.09 1.25 0.28 -1.26 -3.61 120.64 113.54 1ib7 n GLU 37 Ca -0.16 -0.31 0.08 0.00 -0.16 0.00 0.00 57.16 56.61 1ib7 n GLU 37 Cb 0.64 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.99 1ib7 n GLU 37 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ib7 h GLU 38 N 0.76 0.00 -6.23 3.44 4.39 -1.72 -3.47 114.58 111.75 1ib7 h GLU 38 Ca 0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 1ib7 h GLU 38 Cb 0.50 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1ib7 h GLU 38 CO 0.00 0.08 0.81 1.58 -1.16 0.00 0.00 179.01 180.32 1ib7 n HIS 39 N -2.74 1.98 0.08 4.33 -0.00 -1.11 -4.84 115.22 112.91 1ib7 n HIS 39 Ca -0.03 0.44 -0.08 0.00 0.46 0.00 0.00 57.72 58.51 1ib7 n HIS 39 Cb 0.63 -2.47 0.02 0.00 -0.12 0.00 0.00 29.99 28.05 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 6.76 0.23 0.43 1.57 0.13 -1.92 -3.34 132.00 135.85 1ib7 h PRO 40 Ca -0.47 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.42 1ib7 h PRO 40 Cb 1.31 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1ib7 h PRO 40 CO 0.90 0.92 -0.20 0.78 -0.23 0.00 0.00 178.00 180.17 1ib7 h GLY 41 N 1.70 -0.60 -4.84 1.56 0.00 -2.00 -3.48 103.07 95.42 1ib7 h GLY 41 Ca -0.04 0.22 0.16 0.00 0.00 0.00 0.00 47.33 47.68 1ib7 h GLY 41 CO 0.13 -0.22 0.76 -0.32 0.00 0.00 0.00 176.54 176.89 1ib7 s GLY 42 N -1.69 -0.05 -0.07 4.60 0.00 -1.25 -5.05 107.32 103.80 1ib7 s GLY 42 Ca -0.08 2.56 -0.01 0.00 0.00 0.00 0.00 44.72 47.18 1ib7 s GLY 42 CO 0.25 1.18 0.55 1.05 0.00 0.00 0.00 173.10 176.13 1ib7 h GLU 43 N 2.46 0.20 0.26 2.90 4.11 -1.80 -3.37 114.58 119.35 1ib7 h GLU 43 Ca -0.15 -0.35 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 1ib7 h GLU 43 Cb 1.18 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ib7 h GLU 43 CO 0.25 1.02 -0.13 0.93 0.07 0.00 0.00 179.01 181.15 1ib7 h GLU 44 N 0.06 -0.34 -1.83 1.06 4.39 -1.97 -1.13 114.58 114.82 1ib7 h GLU 44 Ca -0.35 0.02 0.53 0.00 0.34 0.00 0.00 59.36 59.90 1ib7 h GLU 44 Cb 2.03 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 30.69 1ib7 h GLU 44 CO 0.11 -0.01 1.40 1.55 -1.16 0.00 0.00 179.01 180.90 1ib7 n VAL 45 N -5.09 0.00 -0.06 3.13 3.14 -1.26 0.26 118.33 118.45 1ib7 n VAL 45 Ca -0.09 1.45 -0.04 0.00 -2.96 0.00 0.00 64.34 62.70 1ib7 n VAL 45 Cb 0.26 -2.45 -0.02 0.00 -1.06 0.00 0.00 33.84 30.57 1ib7 n VAL 45 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ib7 h LEU 46 N 0.00 0.00 0.79 6.55 3.38 -1.65 -3.34 115.31 121.05 1ib7 h LEU 46 Ca 0.87 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.71 1ib7 h LEU 46 Cb 3.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.41 1ib7 h LEU 46 CO -0.01 0.71 -0.38 0.03 0.09 0.00 0.00 178.44 178.88 1ib7 h ARG 47 N -1.00 -1.02 -0.67 1.13 3.08 0.12 1.07 114.38 117.09 1ib7 h ARG 47 Ca -0.02 0.07 0.20 0.00 0.07 0.00 0.00 59.98 60.30 1ib7 h ARG 47 Cb 0.37 0.23 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 1ib7 h ARG 47 CO -0.01 -0.68 0.08 -1.91 -1.07 0.00 0.00 179.97 176.38 1ib7 n GLU 48 N -5.54 -0.05 -2.73 0.04 2.13 0.74 -0.06 120.64 115.17 1ib7 n GLU 48 Ca -0.15 0.99 -0.17 0.00 0.66 0.00 0.00 57.16 58.49 1ib7 n GLU 48 Cb 0.43 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1ib7 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ib7 n GLN 49 N -4.82 1.94 0.00 5.31 10.64 -1.04 -4.95 117.38 124.46 1ib7 n GLN 49 Ca 0.18 -3.78 0.00 0.00 -1.83 0.00 0.00 57.00 51.57 1ib7 n GLN 49 Cb 0.59 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 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 -0.13 0.00 -0.67 2.61 0.00 0.37 -3.91 120.51 118.77 1ib7 n ALA 50 Ca 0.22 0.00 0.51 0.00 0.00 0.00 0.00 53.44 54.17 1ib7 n ALA 50 Cb 0.70 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.95 1ib7 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib7 n GLY 51 N 1.90 -0.96 0.00 0.00 0.00 -0.29 -3.83 105.19 102.01 1ib7 n GLY 51 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1ib7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib7 n GLY 52 N -1.86 -3.33 2.83 -0.02 0.00 -1.25 -4.43 105.19 97.13 1ib7 n GLY 52 Ca 0.43 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1ib7 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ib7 s ASP 53 N -1.94 2.79 -0.17 1.61 -4.77 -1.26 -3.25 116.67 109.68 1ib7 s ASP 53 Ca 0.00 -0.68 0.17 0.00 -3.30 0.00 0.00 52.55 48.74 1ib7 s ASP 53 Cb 0.00 -0.78 0.42 0.00 -1.09 0.00 0.00 42.92 41.47 1ib7 s ASP 53 CO 0.00 -0.23 1.30 0.00 0.70 0.00 0.00 175.17 176.94 1ib7 n ALA 54 N 4.94 2.77 0.09 2.11 0.00 -1.21 -4.76 120.51 124.46 1ib7 n ALA 54 Ca -0.10 -2.53 -0.16 0.00 0.00 0.00 0.00 53.44 50.64 1ib7 n ALA 54 Cb 0.47 -0.56 -0.10 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 0.95 0.00 -0.53 0.00 2.02 -1.90 1.41 112.91 114.86 1ib7 h THR 55 Ca 0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1ib7 h THR 55 Cb 1.25 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1ib7 h THR 55 CO 0.13 0.00 0.08 -0.33 0.37 0.00 0.00 175.52 175.77 1ib7 h GLU 56 N -0.72 0.88 0.00 6.66 4.39 -1.91 0.51 114.58 124.38 1ib7 h GLU 56 Ca 0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ib7 h GLU 56 Cb 0.74 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ib7 h GLU 56 CO -0.32 0.86 0.00 0.09 -1.16 0.00 0.00 179.01 178.48 1ib7 n ASN 57 N -4.37 0.37 -0.13 1.42 4.13 -0.87 0.20 115.26 116.01 1ib7 n ASN 57 Ca 0.02 0.62 -0.19 0.00 1.68 0.00 0.00 54.58 56.71 1ib7 n ASN 57 Cb 0.27 -0.69 -0.12 0.00 -1.54 0.00 0.00 39.78 37.70 1ib7 n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ib7 n PHE 58 N -1.94 0.02 0.05 3.10 7.35 0.48 -4.09 117.46 122.42 1ib7 n PHE 58 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 1ib7 n PHE 58 Cb 0.13 -1.00 -0.12 0.00 0.35 0.00 0.00 39.48 38.83 1ib7 n PHE 58 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1ib7 h GLU 59 N -0.10 0.00 -0.75 -4.13 -0.00 0.38 -3.20 114.58 106.78 1ib7 h GLU 59 Ca -0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.75 1ib7 h GLU 59 Cb 1.87 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.59 1ib7 h GLU 59 CO -0.12 0.91 0.38 0.22 -0.00 0.00 0.00 179.01 180.40 1ib7 h ASP 60 N 0.00 0.97 0.87 3.06 1.82 0.21 -0.00 116.42 123.35 1ib7 h ASP 60 Ca -0.05 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1ib7 h ASP 60 Cb 1.80 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.56 1ib7 h ASP 60 CO 0.12 0.81 0.00 -0.37 -1.61 0.00 0.00 179.24 178.19 1ib7 h VAL 61 N 1.05 0.00 -4.95 2.25 -1.51 -1.71 -3.48 116.25 107.90 1ib7 h VAL 61 Ca 0.26 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1ib7 h VAL 61 Cb 0.09 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1ib7 h VAL 61 CO -0.04 0.00 -0.68 0.61 -1.23 0.00 0.00 177.57 176.23 1ib7 n GLY 62 N -0.00 -2.84 3.76 5.19 0.00 -0.02 -4.94 105.19 106.34 1ib7 n GLY 62 Ca 0.01 0.72 -0.40 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.89 3.47 0.84 1.61 3.76 -1.25 -5.03 115.29 116.79 1ib7 s HIS 63 Ca 0.10 1.64 -0.12 0.00 -0.15 0.00 0.00 55.06 56.53 1ib7 s HIS 63 Cb -0.03 -3.37 0.10 0.00 1.11 0.00 0.00 32.58 30.39 1ib7 s HIS 63 CO 0.69 -0.83 1.17 -1.12 -0.85 0.00 0.00 174.74 173.80 1ib7 s SER 64 N -0.80 4.23 0.21 1.40 0.01 -1.26 -4.88 113.70 112.61 1ib7 s SER 64 Ca 0.45 0.82 -0.10 0.00 1.31 0.00 0.00 55.95 58.43 1ib7 s SER 64 Cb -0.34 -1.32 0.28 0.00 0.21 0.00 0.00 66.02 64.85 1ib7 s SER 64 CO 0.44 -2.09 1.71 0.74 0.41 0.00 0.00 173.24 174.45 1ib7 h THR 65 N -1.18 0.67 -0.98 1.44 2.02 -2.00 0.59 112.91 113.46 1ib7 h THR 65 Ca -0.47 -0.10 0.35 0.00 0.77 0.00 0.00 66.41 66.96 1ib7 h THR 65 Cb 1.33 0.36 -0.17 0.00 -1.74 0.00 0.00 68.15 67.93 1ib7 h THR 65 CO 0.65 0.05 0.39 -0.78 0.37 0.00 0.00 175.52 176.20 1ib7 h ASP 66 N 0.28 0.13 -0.19 4.18 3.58 -2.01 1.40 116.42 123.78 1ib7 h ASP 66 Ca 0.31 0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.97 1ib7 h ASP 66 Cb 0.44 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1ib7 h ASP 66 CO -0.38 -0.33 -0.00 0.00 -2.88 0.00 0.00 179.24 175.64 1ib7 h ALA 67 N 1.95 0.26 -0.97 -0.78 0.00 -1.24 -2.73 119.26 115.75 1ib7 h ALA 67 Ca 0.74 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.74 1ib7 h ALA 67 Cb 1.78 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.32 1ib7 h ALA 67 CO -0.76 -0.02 0.18 -0.09 0.00 0.00 0.00 179.25 178.55 1ib7 h ARG 68 N 0.09 0.05 0.27 0.00 9.65 0.22 0.76 114.38 125.42 1ib7 h ARG 68 Ca 0.05 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1ib7 h ARG 68 Cb 0.40 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1ib7 h ARG 68 CO 0.01 0.03 -0.13 0.93 2.80 0.00 0.00 179.97 183.61 1ib7 h GLU 69 N 0.05 -0.35 0.07 0.20 5.08 -1.22 -2.70 114.58 115.71 1ib7 h GLU 69 Ca 0.64 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1ib7 h GLU 69 Cb 1.43 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1ib7 h GLU 69 CO -0.84 -0.04 -0.08 -0.07 -1.00 0.00 0.00 179.01 176.99 1ib7 h LEU 70 N -0.70 -0.21 -0.59 1.33 4.07 -0.15 0.13 115.31 119.18 1ib7 h LEU 70 Ca -0.04 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.01 1ib7 h LEU 70 Cb 0.48 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.21 1ib7 h LEU 70 CO 0.06 -0.10 -0.30 -1.54 -1.08 0.00 0.00 178.44 175.49 1ib7 n SER 71 N -2.76 -0.52 0.10 -0.43 3.41 0.23 0.20 113.62 113.85 1ib7 n SER 71 Ca -0.02 1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 59.51 1ib7 n SER 71 Cb 0.07 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1ib7 n SER 71 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ib7 h LYS 72 N 0.00 -0.45 -0.33 4.33 3.64 -1.19 0.12 116.57 122.69 1ib7 h LYS 72 Ca 0.14 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1ib7 h LYS 72 Cb 0.29 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1ib7 h LYS 72 CO -0.57 -0.30 0.23 1.15 -2.27 0.00 0.00 179.45 177.69 1ib7 h THR 73 N -0.47 0.88 -0.98 1.00 2.02 0.50 -0.46 112.91 115.40 1ib7 h THR 73 Ca 0.04 -0.03 -0.67 0.00 0.77 0.00 0.00 66.41 66.52 1ib7 h THR 73 Cb 0.51 0.79 -0.28 0.00 -1.74 0.00 0.00 68.15 67.42 1ib7 h THR 73 CO -0.17 0.01 0.86 -1.22 0.37 0.00 0.00 175.52 175.37 1ib7 n TYR 74 N -4.46 3.18 -4.78 3.16 4.02 0.55 -4.93 117.16 113.90 1ib7 n TYR 74 Ca 0.05 -2.99 -0.30 0.00 -0.01 0.00 0.00 57.90 54.65 1ib7 n TYR 74 Cb 0.35 -1.44 -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 2.37 0.00 -0.72 2.07 -0.18 -1.39 121.20 118.63 1ib7 s ILE 75 Ca 0.64 -1.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 1ib7 s ILE 75 Cb 0.50 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 41.13 1ib7 s ILE 75 CO -0.01 0.33 0.00 2.30 -1.91 0.00 0.00 174.94 175.66 1ib7 n ILE 76 N 1.63 0.00 -3.29 2.00 -0.00 -1.26 -4.93 119.36 113.51 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 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 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 2.69 -1.11 3.69 3.28 0.00 -1.26 -4.63 105.19 107.85 1ib7 n GLY 77 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.57 2.13 0.09 1.61 -1.05 0.04 -1.91 118.70 119.04 1ib7 s GLU 78 Ca 0.00 -1.94 0.04 0.00 -0.15 0.00 0.00 54.97 52.92 1ib7 s GLU 78 Cb 0.00 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1ib7 s GLU 78 CO 0.00 -0.09 0.05 -0.48 0.95 0.00 0.00 175.26 175.68 1ib7 s LEU 79 N -3.83 3.65 -0.77 1.83 -0.00 -1.26 -0.13 118.68 118.17 1ib7 s LEU 79 Ca 0.39 -0.10 -0.37 0.00 -0.00 0.00 0.00 54.13 54.05 1ib7 s LEU 79 Cb 0.06 -2.34 -0.21 0.00 -0.00 0.00 0.00 46.19 43.70 1ib7 s LEU 79 CO 0.21 0.16 2.45 1.57 -0.00 0.00 0.00 176.35 180.74 1ib7 n HIS 80 N 0.43 0.84 1.50 3.48 -0.00 0.66 -4.69 115.22 117.43 1ib7 n HIS 80 Ca -0.09 0.55 0.09 0.00 -0.00 0.00 0.00 57.72 58.27 1ib7 n HIS 80 Cb 0.52 -2.34 0.53 0.00 -0.00 0.00 0.00 29.99 28.70 1ib7 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ib7 n PRO 81 N 8.06 0.75 0.10 1.57 -0.04 -1.26 -2.67 135.00 141.50 1ib7 n PRO 81 Ca 0.61 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.91 1ib7 n PRO 81 Cb 0.00 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 1ib7 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ib7 h ASP 82 N 0.00 0.43 -0.63 3.54 1.82 -1.99 -3.16 116.42 116.43 1ib7 h ASP 82 Ca 0.00 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1ib7 h ASP 82 Cb 0.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.87 1ib7 h ASP 82 CO 0.00 1.33 0.00 0.47 -1.61 0.00 0.00 179.24 179.43 1ib7 n ASP 83 N -3.56 4.52 0.26 2.28 9.92 -1.09 -4.32 116.55 124.56 1ib7 n ASP 83 Ca -0.08 -2.39 0.17 0.00 -0.53 0.00 0.00 54.79 51.96 1ib7 n ASP 83 Cb 1.00 -0.56 0.92 0.00 -0.64 0.00 0.00 41.12 41.84 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 3.96 0.00 0.07 -1.24 -0.00 -1.59 0.74 114.38 116.32 1ib7 h ARG 84 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.69 1ib7 h ARG 84 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.31 1ib7 h ARG 84 CO 0.21 0.00 -1.52 1.03 -0.00 0.00 0.00 179.97 179.69 1ib7 h SER 85 N 0.00 0.24 -0.64 0.08 0.87 -1.83 -3.30 113.55 108.97 1ib7 h SER 85 Ca 0.00 -0.36 -0.40 0.00 -1.23 0.00 0.00 61.79 59.80 1ib7 h SER 85 Cb 0.01 -0.08 -0.19 0.00 -0.44 0.00 0.00 62.40 61.70 1ib7 h SER 85 CO 0.00 1.31 0.52 0.29 -0.53 0.00 0.00 176.83 178.41 1ib7 n LYS 86 N -3.35 1.99 0.02 2.24 5.02 0.24 -3.99 118.16 120.33 1ib7 n LYS 86 Ca -0.15 -2.04 0.04 0.00 -2.02 0.00 0.00 58.31 54.14 1ib7 n LYS 86 Cb 1.03 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1ib7 n LYS 86 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1ib7 n ILE 87 N -0.20 0.75 0.00 -0.18 0.13 -1.14 -5.05 119.36 113.67 1ib7 n ILE 87 Ca 0.40 -0.63 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 1ib7 n ILE 87 Cb 0.81 -0.40 0.00 0.00 -0.84 0.00 0.00 39.64 39.21 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35