#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 3.19 -0.35 1.45 -0.14 -1.26 -4.99 119.74 117.64 1ib7 s LYS 5 Ca 0.00 -0.76 -0.13 0.00 -1.36 0.00 0.00 55.97 53.72 1ib7 s LYS 5 Cb 0.00 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1ib7 s LYS 5 CO 0.00 0.01 0.24 0.71 -0.76 0.00 0.00 175.35 175.54 1ib7 s TYR 6 N 0.83 3.23 0.09 3.18 2.02 -1.24 0.32 117.35 125.79 1ib7 s TYR 6 Ca -0.05 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 1ib7 s TYR 6 Cb -0.15 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1ib7 s TYR 6 CO -0.01 -0.43 0.11 0.71 -1.57 0.00 0.00 175.55 174.36 1ib7 s TYR 7 N 1.69 3.23 0.44 2.71 2.02 0.68 -4.69 117.35 123.43 1ib7 s TYR 7 Ca 0.05 0.08 -0.21 0.00 -0.37 0.00 0.00 57.07 56.62 1ib7 s TYR 7 Cb -0.18 -1.62 -0.10 0.00 -0.40 0.00 0.00 41.96 39.66 1ib7 s TYR 7 CO 0.10 0.53 0.98 0.95 -1.57 0.00 0.00 175.55 176.53 1ib7 s THR 8 N -1.47 4.18 0.16 -0.71 -4.23 -1.26 0.23 115.64 112.54 1ib7 s THR 8 Ca 0.30 1.41 0.21 0.00 -1.18 0.00 0.00 61.69 62.43 1ib7 s THR 8 Cb -0.12 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.33 1ib7 s THR 8 CO 0.23 -0.25 1.58 0.17 -0.54 0.00 0.00 174.62 175.81 1ib7 h LEU 9 N 1.94 0.00 -0.49 4.79 -0.00 -1.95 0.37 115.31 119.97 1ib7 h LEU 9 Ca -0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.25 1ib7 h LEU 9 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1ib7 h LEU 9 CO 0.61 0.00 -0.33 -0.33 -0.00 0.00 0.00 178.44 178.39 1ib7 h GLU 10 N 0.00 0.89 0.07 0.17 3.07 -1.99 -2.86 114.58 113.91 1ib7 h GLU 10 Ca 0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1ib7 h GLU 10 Cb 0.45 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1ib7 h GLU 10 CO 0.00 1.08 -0.13 1.49 -1.40 0.00 0.00 179.01 180.05 1ib7 h GLU 11 N 0.74 -0.21 -0.79 2.33 4.81 -0.62 0.17 114.58 121.01 1ib7 h GLU 11 Ca 0.07 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.47 1ib7 h GLU 11 Cb 0.90 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.18 1ib7 h GLU 11 CO 0.08 -0.14 -0.23 -0.84 -0.73 0.00 0.00 179.01 177.16 1ib7 h ILE 12 N -0.21 0.18 0.00 2.32 -2.65 -1.66 1.59 117.51 117.08 1ib7 h ILE 12 Ca -0.01 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.88 1ib7 h ILE 12 Cb 0.20 0.18 0.00 0.00 -2.05 0.00 0.00 36.82 35.15 1ib7 h ILE 12 CO -0.05 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.13 1ib7 n GLN 13 N -5.51 0.00 -0.19 0.16 1.13 -0.93 -1.19 117.38 110.85 1ib7 n GLN 13 Ca 0.10 0.45 0.28 0.00 -1.94 0.00 0.00 57.00 55.90 1ib7 n GLN 13 Cb 0.40 -1.16 0.71 0.00 0.11 0.00 0.00 30.24 30.30 1ib7 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1ib7 h LYS 14 N 0.00 0.03 -1.71 -1.09 2.10 -0.48 0.26 116.57 115.69 1ib7 h LYS 14 Ca 0.00 -0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.23 1ib7 h LYS 14 Cb 0.00 -0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 31.16 1ib7 h LYS 14 CO 0.00 0.02 0.42 0.72 -2.00 0.00 0.00 179.45 178.61 1ib7 n HIS 15 N -4.29 1.63 -1.45 0.07 8.25 0.54 -4.28 115.22 115.68 1ib7 n HIS 15 Ca 0.19 -2.00 -0.11 0.00 -0.26 0.00 0.00 57.72 55.54 1ib7 n HIS 15 Cb 0.96 -1.17 0.18 0.00 1.12 0.00 0.00 29.99 31.08 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 0.54 2.06 -4.42 -0.41 4.81 0.93 -2.25 118.16 119.41 1ib7 n LYS 16 Ca 0.40 -3.24 -0.20 0.00 -0.87 0.00 0.00 58.31 54.40 1ib7 n LYS 16 Cb 0.57 -1.94 -0.10 0.00 0.02 0.00 0.00 35.03 33.58 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 -2.36 2.25 0.15 3.14 1.11 -1.16 -4.86 116.67 114.94 1ib7 s ASP 17 Ca 0.48 -1.33 -0.19 0.00 0.18 0.00 0.00 52.55 51.69 1ib7 s ASP 17 Cb 0.43 -0.06 0.05 0.00 1.07 0.00 0.00 42.92 44.40 1ib7 s ASP 17 CO 0.02 -0.57 1.66 -1.28 1.18 0.00 0.00 175.17 176.18 1ib7 h SER 18 N 2.21 -0.46 -0.98 0.27 0.87 -1.97 -1.32 113.55 112.17 1ib7 h SER 18 Ca -0.40 0.11 0.16 0.00 -1.23 0.00 0.00 61.79 60.43 1ib7 h SER 18 Cb 1.24 0.26 -0.16 0.00 -0.44 0.00 0.00 62.40 63.29 1ib7 h SER 18 CO 0.68 -0.17 -0.36 0.50 -0.53 0.00 0.00 176.83 176.95 1ib7 h LYS 19 N -0.09 -0.01 -3.05 2.24 3.64 -1.96 -3.27 116.57 114.06 1ib7 h LYS 19 Ca 0.15 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.96 1ib7 h LYS 19 Cb 0.32 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.75 1ib7 h LYS 19 CO -0.36 -0.00 -0.78 -1.12 -2.27 0.00 0.00 179.45 174.92 1ib7 s SER 20 N -5.33 3.62 -0.37 4.20 0.01 -0.58 -4.95 113.70 110.29 1ib7 s SER 20 Ca -0.14 -1.82 -0.14 0.00 1.31 0.00 0.00 55.95 55.15 1ib7 s SER 20 Cb 0.21 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 1ib7 s SER 20 CO 0.72 -0.38 0.31 -0.89 0.41 0.00 0.00 173.24 173.41 1ib7 s THR 21 N 1.42 5.23 0.27 1.44 2.01 -0.70 -2.98 115.64 122.33 1ib7 s THR 21 Ca 0.13 -0.29 0.12 0.00 0.31 0.00 0.00 61.69 61.96 1ib7 s THR 21 Cb -0.19 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1ib7 s THR 21 CO -0.19 -0.15 -0.19 0.26 -0.69 0.00 0.00 174.62 173.66 1ib7 s TRP 22 N 1.82 2.32 -0.28 4.92 0.52 -0.96 -2.55 118.94 124.73 1ib7 s TRP 22 Ca 0.08 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 55.81 1ib7 s TRP 22 Cb -0.18 -1.02 0.14 0.00 -1.15 0.00 0.00 33.47 31.27 1ib7 s TRP 22 CO 0.11 0.69 0.58 0.54 0.02 0.00 0.00 176.95 178.89 1ib7 s VAL 23 N -2.40 -0.92 -0.05 4.03 0.11 -1.16 -1.01 120.40 119.00 1ib7 s VAL 23 Ca 0.29 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1ib7 s VAL 23 Cb -0.05 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.80 1ib7 s VAL 23 CO 0.15 0.00 1.72 -0.63 -3.33 0.00 0.00 175.10 173.01 1ib7 s ILE 24 N 2.82 3.47 -0.16 7.04 1.01 -1.23 -0.61 121.20 133.54 1ib7 s ILE 24 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1ib7 s ILE 24 Cb -0.13 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1ib7 s ILE 24 CO -0.18 -0.06 -0.10 -0.76 0.00 0.00 0.00 174.94 173.84 1ib7 s LEU 25 N 4.25 1.70 -1.28 2.97 1.02 0.14 -3.43 118.68 124.05 1ib7 s LEU 25 Ca 0.77 -0.59 -0.22 0.00 0.02 0.00 0.00 54.13 54.11 1ib7 s LEU 25 Cb -0.35 -1.06 0.03 0.00 0.02 0.00 0.00 46.19 44.84 1ib7 s LEU 25 CO 0.32 -0.12 0.42 0.00 0.02 0.00 0.00 176.35 176.99 1ib7 n HIS 26 N 4.81 -1.27 -3.51 0.29 1.44 -1.26 0.42 115.22 116.15 1ib7 n HIS 26 Ca -0.14 0.23 -0.19 0.00 -2.01 0.00 0.00 57.72 55.61 1ib7 n HIS 26 Cb 0.49 -2.65 0.06 0.00 0.12 0.00 0.00 29.99 28.01 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 -4.77 -2.12 -3.15 -1.40 8.25 -1.26 -4.98 115.22 105.79 1ib7 n HIS 27 Ca -0.18 0.87 0.05 0.00 -0.26 0.00 0.00 57.72 58.20 1ib7 n HIS 27 Cb 0.58 -4.61 -0.01 0.00 1.12 0.00 0.00 29.99 27.08 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 -5.46 0.28 0.38 -0.41 1.02 0.17 -4.69 119.74 111.03 1ib7 s LYS 28 Ca 0.10 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.21 1ib7 s LYS 28 Cb -0.02 0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 1ib7 s LYS 28 CO 0.77 -0.41 1.27 0.14 -0.92 0.00 0.00 175.35 176.20 1ib7 s VAL 29 N 2.92 2.77 -0.27 3.17 -7.23 -0.81 0.24 120.40 121.19 1ib7 s VAL 29 Ca 0.13 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 1ib7 s VAL 29 Cb -0.08 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.49 1ib7 s VAL 29 CO -0.19 0.12 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.35 1ib7 s TYR 30 N -1.25 3.23 -1.29 2.82 1.51 0.22 -4.25 117.35 118.34 1ib7 s TYR 30 Ca 0.54 -2.04 -0.17 0.00 -1.01 0.00 0.00 57.07 54.38 1ib7 s TYR 30 Cb -0.37 -2.02 0.08 0.00 -0.11 0.00 0.00 41.96 39.55 1ib7 s TYR 30 CO 0.48 -0.83 1.72 -3.47 -1.11 0.00 0.00 175.55 172.33 1ib7 n ASP 31 N 4.54 4.95 -2.31 2.29 2.03 -0.76 -3.01 116.55 124.28 1ib7 n ASP 31 Ca -0.14 -2.93 -0.31 0.00 0.52 0.00 0.00 54.79 51.94 1ib7 n ASP 31 Cb 0.43 -1.73 0.06 0.00 -0.72 0.00 0.00 41.12 39.16 1ib7 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ib7 n LEU 32 N 8.00 7.31 -0.12 -2.67 -0.00 -1.06 -4.58 117.00 123.89 1ib7 n LEU 32 Ca 0.48 -4.11 -0.09 0.00 -0.00 0.00 0.00 56.01 52.29 1ib7 n LEU 32 Cb 0.45 -1.03 -0.01 0.00 -0.00 0.00 0.00 43.42 42.84 1ib7 n LEU 32 CO 0.76 1.47 0.98 0.74 -0.00 0.00 0.00 177.39 181.33 1ib7 h THR 33 N 1.20 1.14 -0.22 1.47 2.02 -1.86 1.27 112.91 117.93 1ib7 h THR 33 Ca 0.51 -0.35 -0.20 0.00 0.77 0.00 0.00 66.41 67.15 1ib7 h THR 33 Cb 0.73 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1ib7 h THR 33 CO 1.32 0.14 -0.64 0.50 0.37 0.00 0.00 175.52 177.22 1ib7 h LYS 34 N 0.47 0.79 -0.63 6.66 3.64 -1.91 -2.84 116.57 122.74 1ib7 h LYS 34 Ca 0.13 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1ib7 h LYS 34 Cb 0.04 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ib7 h LYS 34 CO -0.02 1.18 0.00 0.98 -2.27 0.00 0.00 179.45 179.31 1ib7 n TYR 35 N -3.97 0.85 -0.02 1.91 9.36 -1.04 -4.07 117.16 120.19 1ib7 n TYR 35 Ca -0.05 -0.32 -0.13 0.00 3.32 0.00 0.00 57.90 60.71 1ib7 n TYR 35 Cb 0.67 -0.19 -0.10 0.00 -0.63 0.00 0.00 39.34 39.09 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 2.10 0.01 -0.19 2.98 7.12 0.19 -1.94 115.31 125.59 1ib7 h LEU 36 Ca 0.00 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.45 1ib7 h LEU 36 Cb 0.97 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1ib7 h LEU 36 CO 0.16 0.57 -0.39 -1.84 -0.13 0.00 0.00 178.44 176.81 1ib7 n GLU 37 N -4.81 0.33 0.11 1.25 0.28 -1.26 -3.61 120.64 112.93 1ib7 n GLU 37 Ca -0.09 -0.19 0.06 0.00 -0.16 0.00 0.00 57.16 56.79 1ib7 n GLU 37 Cb 0.29 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.67 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ib7 h GLU 38 N 0.45 0.00 -6.26 3.44 4.57 -1.69 -3.47 114.58 111.62 1ib7 h GLU 38 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.12 1ib7 h GLU 38 CO 0.00 0.19 0.73 1.58 -1.18 0.00 0.00 179.01 180.33 1ib7 n HIS 39 N -2.93 1.89 0.10 0.92 -0.00 -0.73 -4.85 115.22 109.61 1ib7 n HIS 39 Ca -0.02 0.48 -0.06 0.00 0.46 0.00 0.00 57.72 58.59 1ib7 n HIS 39 Cb 0.67 -2.44 0.05 0.00 -0.12 0.00 0.00 29.99 28.15 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 6.18 0.11 0.19 1.57 0.13 -1.91 -3.35 132.00 134.92 1ib7 h PRO 40 Ca -0.47 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1ib7 h PRO 40 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ib7 h PRO 40 CO 0.87 0.83 -0.09 0.78 -0.23 0.00 0.00 178.00 180.16 1ib7 h GLY 41 N 1.98 -0.26 -4.79 1.56 0.00 -1.99 -3.48 103.07 96.08 1ib7 h GLY 41 Ca -0.02 0.10 0.16 0.00 0.00 0.00 0.00 47.33 47.57 1ib7 h GLY 41 CO 0.11 -0.10 0.76 -0.32 0.00 0.00 0.00 176.54 176.99 1ib7 s GLY 42 N -1.51 -0.06 -0.01 4.60 0.00 -1.26 -5.04 107.32 104.04 1ib7 s GLY 42 Ca -0.04 2.52 0.00 0.00 0.00 0.00 0.00 44.72 47.20 1ib7 s GLY 42 CO 0.11 1.14 0.79 1.05 0.00 0.00 0.00 173.10 176.19 1ib7 h GLU 43 N 2.41 0.19 0.23 2.90 4.11 -1.81 -3.36 114.58 119.24 1ib7 h GLU 43 Ca -0.14 -0.32 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 1ib7 h GLU 43 Cb 1.18 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ib7 h GLU 43 CO 0.25 1.00 -0.11 0.93 0.07 0.00 0.00 179.01 181.15 1ib7 h GLU 44 N 0.05 -0.30 -1.92 1.06 4.39 -1.96 -0.96 114.58 114.94 1ib7 h GLU 44 Ca -0.26 0.02 0.56 0.00 0.34 0.00 0.00 59.36 60.02 1ib7 h GLU 44 Cb 2.00 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 30.64 1ib7 h GLU 44 CO 0.13 0.06 1.41 1.55 -1.16 0.00 0.00 179.01 181.01 1ib7 n VAL 45 N -5.04 0.00 -0.05 3.13 3.14 -1.26 0.26 118.33 118.51 1ib7 n VAL 45 Ca -0.09 1.47 -0.02 0.00 -2.96 0.00 0.00 64.34 62.74 1ib7 n VAL 45 Cb 0.26 -2.46 -0.01 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 0.41 6.55 3.38 -1.65 -3.34 115.31 120.65 1ib7 h LEU 46 Ca 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.88 1ib7 h LEU 46 Cb 3.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 44.46 1ib7 h LEU 46 CO -0.01 0.55 -0.35 0.03 0.09 0.00 0.00 178.44 178.75 1ib7 h ARG 47 N -0.86 -0.74 -0.69 1.13 3.08 0.93 1.25 114.38 118.48 1ib7 h ARG 47 Ca 0.00 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.31 1ib7 h ARG 47 Cb 0.25 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.34 1ib7 h ARG 47 CO 0.00 -0.49 0.08 -1.91 -1.07 0.00 0.00 179.97 176.57 1ib7 n GLU 48 N -5.47 -0.05 -2.72 0.04 4.07 0.74 -0.27 120.64 116.98 1ib7 n GLU 48 Ca -0.10 1.02 -0.16 0.00 -0.06 0.00 0.00 57.16 57.85 1ib7 n GLU 48 Cb 0.37 -1.65 0.01 0.00 -0.06 0.00 0.00 31.44 30.10 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 -4.87 1.85 0.00 5.31 10.64 -0.86 -4.95 117.38 124.50 1ib7 n GLN 49 Ca 0.18 -3.71 0.00 0.00 -1.83 0.00 0.00 57.00 51.64 1ib7 n GLN 49 Cb 0.59 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 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 -0.55 2.61 0.00 0.42 -3.98 120.51 118.89 1ib7 n ALA 50 Ca 0.21 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.09 1ib7 n ALA 50 Cb 0.72 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.91 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 0.63 0.00 0.00 0.00 -1.17 -3.32 103.07 99.21 1ib7 h GLY 51 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ib7 h GLY 51 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 176.95 1ib7 n GLY 52 N -1.72 -3.61 2.81 4.60 0.00 -1.26 -4.49 105.19 101.52 1ib7 n GLY 52 Ca 0.40 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.02 3.23 -0.27 1.61 -4.77 -1.26 -3.52 116.67 109.68 1ib7 s ASP 53 Ca 0.00 -0.94 0.10 0.00 -3.30 0.00 0.00 52.55 48.41 1ib7 s ASP 53 Cb 0.00 -0.80 0.48 0.00 -1.09 0.00 0.00 42.92 41.51 1ib7 s ASP 53 CO 0.00 -0.28 1.40 0.00 0.70 0.00 0.00 175.17 176.99 1ib7 n ALA 54 N 4.92 4.12 0.46 2.11 0.00 -1.24 -4.75 120.51 126.13 1ib7 n ALA 54 Ca -0.10 -3.16 -0.20 0.00 0.00 0.00 0.00 53.44 49.98 1ib7 n ALA 54 Cb 0.46 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 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 1.00 0.00 -0.68 0.00 2.02 -1.93 0.42 112.91 113.74 1ib7 h THR 55 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1ib7 h THR 55 Cb 1.49 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ib7 h THR 55 CO 0.29 0.00 0.16 -0.33 0.37 0.00 0.00 175.52 176.01 1ib7 h GLU 56 N -1.23 1.09 0.00 6.66 3.07 -1.92 0.49 114.58 122.74 1ib7 h GLU 56 Ca -0.12 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1ib7 h GLU 56 Cb 0.97 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1ib7 h GLU 56 CO 0.15 0.97 0.00 -0.91 -1.40 0.00 0.00 179.01 177.82 1ib7 h ASN 57 N 1.02 0.00 0.02 1.42 2.35 -1.84 1.60 115.58 120.16 1ib7 h ASN 57 Ca 0.21 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.58 1ib7 h ASN 57 Cb 0.38 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.69 1ib7 h ASN 57 CO 0.00 0.00 -2.38 0.33 -1.65 0.00 0.00 177.43 173.74 1ib7 n PHE 58 N -2.37 0.26 0.09 1.19 7.35 0.15 -4.07 117.46 120.06 1ib7 n PHE 58 Ca 0.00 0.06 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 1ib7 n PHE 58 Cb 0.15 -1.03 -0.13 0.00 0.35 0.00 0.00 39.48 38.81 1ib7 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ib7 h GLU 59 N -0.06 0.20 -0.53 -4.13 5.08 0.32 -3.21 114.58 112.25 1ib7 h GLU 59 Ca -0.55 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 57.51 1ib7 h GLU 59 Cb 1.90 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.23 1ib7 h GLU 59 CO -0.08 1.16 0.27 0.22 -1.00 0.00 0.00 179.01 179.59 1ib7 h ASP 60 N 0.05 0.40 0.54 1.42 3.58 0.21 0.29 116.42 122.91 1ib7 h ASP 60 Ca -0.10 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1ib7 h ASP 60 Cb 1.92 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1ib7 h ASP 60 CO 0.18 0.28 0.00 -0.37 -2.88 0.00 0.00 179.24 176.45 1ib7 h VAL 61 N 0.53 0.00 -4.89 2.25 -1.51 -1.70 -3.47 116.25 107.46 1ib7 h VAL 61 Ca 0.23 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1ib7 h VAL 61 Cb 0.13 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1ib7 h VAL 61 CO -0.15 0.00 -0.55 0.61 -1.23 0.00 0.00 177.57 176.24 1ib7 n GLY 62 N -0.48 -2.11 3.76 5.19 0.00 0.10 -4.94 105.19 106.71 1ib7 n GLY 62 Ca -0.01 0.84 -0.41 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.06 3.32 0.79 1.61 3.76 -1.25 -5.02 115.29 116.45 1ib7 s HIS 63 Ca 0.15 1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 56.46 1ib7 s HIS 63 Cb -0.04 -3.49 0.08 0.00 1.11 0.00 0.00 32.58 30.24 1ib7 s HIS 63 CO 0.66 -1.27 1.15 -1.54 -0.85 0.00 0.00 174.74 172.88 1ib7 s SER 64 N -0.50 4.53 0.27 1.40 1.04 -1.26 -4.89 113.70 114.29 1ib7 s SER 64 Ca 0.48 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.61 1ib7 s SER 64 Cb -0.36 -1.22 0.56 0.00 0.10 0.00 0.00 66.02 65.11 1ib7 s SER 64 CO 0.45 -1.87 1.75 0.74 0.98 0.00 0.00 173.24 175.29 1ib7 h THR 65 N -0.98 0.67 -0.99 2.02 2.02 -2.00 0.19 112.91 113.84 1ib7 h THR 65 Ca -0.46 -0.19 0.33 0.00 0.77 0.00 0.00 66.41 66.86 1ib7 h THR 65 Cb 1.33 0.07 -0.16 0.00 -1.74 0.00 0.00 68.15 67.65 1ib7 h THR 65 CO 0.64 0.10 0.52 0.44 0.37 0.00 0.00 175.52 177.59 1ib7 h ASP 66 N 0.56 0.40 -0.19 4.18 3.32 -2.01 1.01 116.42 123.68 1ib7 h ASP 66 Ca 0.47 0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.68 1ib7 h ASP 66 Cb 0.73 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ib7 h ASP 66 CO -0.40 -0.20 -0.09 0.00 -1.72 0.00 0.00 179.24 176.83 1ib7 h ALA 67 N 1.88 0.27 -0.95 3.45 0.00 -0.98 -2.93 119.26 119.99 1ib7 h ALA 67 Ca 0.74 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.59 1ib7 h ALA 67 Cb 1.72 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.27 1ib7 h ALA 67 CO -0.65 0.09 -0.11 -0.09 0.00 0.00 0.00 179.25 178.49 1ib7 h ARG 68 N 0.09 0.01 0.28 0.00 2.43 0.13 1.10 114.38 118.41 1ib7 h ARG 68 Ca 0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1ib7 h ARG 68 Cb 0.57 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ib7 h ARG 68 CO 0.03 0.01 -0.13 0.93 -1.51 0.00 0.00 179.97 179.29 1ib7 h GLU 69 N 0.01 -0.36 0.22 0.20 5.08 -1.33 -2.01 114.58 116.40 1ib7 h GLU 69 Ca 0.51 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1ib7 h GLU 69 Cb 0.92 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ib7 h GLU 69 CO -0.93 -0.17 -0.14 -0.07 -1.00 0.00 0.00 179.01 176.70 1ib7 h LEU 70 N -0.47 -0.36 -0.66 1.33 4.07 -0.18 0.18 115.31 119.22 1ib7 h LEU 70 Ca -0.04 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.04 1ib7 h LEU 70 Cb 0.35 0.11 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 1ib7 h LEU 70 CO 0.06 -0.21 -0.28 -1.20 -1.08 0.00 0.00 178.44 175.73 1ib7 n SER 71 N -3.11 -0.47 0.12 -0.43 7.64 0.34 0.21 113.62 117.91 1ib7 n SER 71 Ca -0.04 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.86 1ib7 n SER 71 Cb 0.14 -0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.32 -0.44 1.43 1.57 -1.16 -1.26 116.57 116.40 1ib7 h LYS 72 Ca 0.21 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1ib7 h LYS 72 Cb 0.37 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1ib7 h LYS 72 CO -0.65 -0.21 0.30 1.15 -0.57 0.00 0.00 179.45 179.47 1ib7 h THR 73 N -0.33 0.91 -1.20 -0.16 2.02 0.55 -0.90 112.91 113.79 1ib7 h THR 73 Ca 0.00 -0.08 -0.70 0.00 0.77 0.00 0.00 66.41 66.40 1ib7 h THR 73 Cb 0.31 0.64 -0.29 0.00 -1.74 0.00 0.00 68.15 67.07 1ib7 h THR 73 CO -0.03 0.04 0.92 -1.22 0.37 0.00 0.00 175.52 175.60 1ib7 n TYR 74 N -4.46 3.19 -5.04 3.16 4.02 0.55 -4.93 117.16 113.64 1ib7 n TYR 74 Ca 0.06 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.90 54.74 1ib7 n TYR 74 Cb 0.33 -1.40 -0.14 0.00 -0.02 0.00 0.00 39.34 38.11 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 -4.88 2.67 0.00 -0.72 2.07 -0.34 -1.83 121.20 118.17 1ib7 s ILE 75 Ca 0.62 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1ib7 s ILE 75 Cb 0.50 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 41.08 1ib7 s ILE 75 CO -0.09 0.57 0.00 2.30 -1.91 0.00 0.00 174.94 175.81 1ib7 n ILE 76 N 2.32 0.00 -3.37 2.00 -0.00 -1.26 -4.95 119.36 114.10 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 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 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 3.11 -1.17 3.73 3.28 0.00 -1.26 -4.55 105.19 108.33 1ib7 n GLY 77 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.74 2.20 0.02 1.61 -1.05 0.15 -1.93 118.70 118.97 1ib7 s GLU 78 Ca 0.00 -1.88 -0.00 0.00 -0.15 0.00 0.00 54.97 52.94 1ib7 s GLU 78 Cb 0.00 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 1ib7 s GLU 78 CO 0.00 -0.11 0.14 -0.48 0.95 0.00 0.00 175.26 175.76 1ib7 s LEU 79 N -3.89 4.13 -0.45 1.83 -0.00 -1.26 -0.23 118.68 118.82 1ib7 s LEU 79 Ca 0.40 0.21 -0.43 0.00 -0.00 0.00 0.00 54.13 54.31 1ib7 s LEU 79 Cb 0.05 -2.57 -0.18 0.00 -0.00 0.00 0.00 46.19 43.48 1ib7 s LEU 79 CO 0.22 0.23 1.93 1.57 -0.00 0.00 0.00 176.35 180.30 1ib7 n HIS 80 N 0.77 1.52 1.36 3.48 -0.00 0.62 -4.69 115.22 118.30 1ib7 n HIS 80 Ca -0.10 0.79 0.12 0.00 -0.00 0.00 0.00 57.72 58.53 1ib7 n HIS 80 Cb 0.52 -2.33 0.67 0.00 -0.00 0.00 0.00 29.99 28.85 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 6.25 0.61 0.11 1.57 -0.04 -1.26 -1.58 135.00 140.66 1ib7 n PRO 81 Ca 0.42 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.73 1ib7 n PRO 81 Cb 0.01 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 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 0.50 0.00 3.54 1.82 -1.98 -3.30 116.42 117.00 1ib7 h ASP 82 Ca 0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1ib7 h ASP 82 Cb 0.07 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1ib7 h ASP 82 CO 0.00 1.40 -1.45 0.47 -1.61 0.00 0.00 179.24 178.05 1ib7 n ASP 83 N -3.58 0.55 -0.14 2.28 9.92 -1.08 -4.25 116.55 120.25 1ib7 n ASP 83 Ca -0.10 -0.54 0.02 0.00 -0.53 0.00 0.00 54.79 53.65 1ib7 n ASP 83 Cb 1.03 1.46 0.31 0.00 -0.64 0.00 0.00 41.12 43.27 1ib7 n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1ib7 h ARG 84 N 0.00 0.83 -0.28 -1.24 2.43 -1.36 0.71 114.38 115.46 1ib7 h ARG 84 Ca 0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1ib7 h ARG 84 Cb 0.73 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1ib7 h ARG 84 CO 0.00 0.55 -0.04 1.03 -1.51 0.00 0.00 179.97 180.00 1ib7 h SER 85 N 0.85 0.53 -0.57 -3.80 0.87 -1.74 -2.56 113.55 107.13 1ib7 h SER 85 Ca 0.24 -0.34 -0.26 0.00 -1.23 0.00 0.00 61.79 60.19 1ib7 h SER 85 Cb -0.08 -0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 61.58 1ib7 h SER 85 CO -0.05 0.75 0.33 0.29 -0.53 0.00 0.00 176.83 177.62 1ib7 n LYS 86 N -4.53 2.09 0.09 2.24 5.02 -0.80 -4.10 118.16 118.16 1ib7 n LYS 86 Ca -0.03 -1.88 -0.08 0.00 -2.02 0.00 0.00 58.31 54.30 1ib7 n LYS 86 Cb 0.29 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1ib7 n LYS 86 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1ib7 h ILE 87 N 0.98 1.52 0.00 -0.18 6.09 -0.44 -3.49 117.51 121.98 1ib7 h ILE 87 Ca 0.32 -2.71 0.00 0.00 -1.37 0.00 0.00 64.86 61.10 1ib7 h ILE 87 Cb 2.02 2.52 0.00 0.00 0.47 0.00 0.00 36.82 41.83 1ib7 h ILE 87 CO 0.61 0.79 0.00 0.00 -3.07 0.00 0.00 178.15 176.48