#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 -0.47 1.45 -0.14 -1.26 -5.01 119.74 117.73 1ib7 s LYS 5 Ca 0.00 -0.62 -0.15 0.00 -1.36 0.00 0.00 55.97 53.84 1ib7 s LYS 5 Cb 0.00 -2.95 0.08 0.00 -1.68 0.00 0.00 37.83 33.28 1ib7 s LYS 5 CO 0.00 -0.09 0.38 0.71 -0.76 0.00 0.00 175.35 175.59 1ib7 s TYR 6 N 1.20 3.26 0.21 3.18 2.02 -1.24 -0.64 117.35 125.35 1ib7 s TYR 6 Ca 0.02 -1.02 -0.09 0.00 -0.37 0.00 0.00 57.07 55.61 1ib7 s TYR 6 Cb -0.14 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.18 1ib7 s TYR 6 CO -0.01 -0.81 0.53 0.71 -1.57 0.00 0.00 175.55 174.39 1ib7 s TYR 7 N 1.61 3.44 0.28 2.71 2.02 0.10 -4.62 117.35 122.90 1ib7 s TYR 7 Ca 0.04 0.85 -0.28 0.00 -0.37 0.00 0.00 57.07 57.31 1ib7 s TYR 7 Cb -0.24 -2.24 -0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1ib7 s TYR 7 CO 0.06 0.30 0.95 0.95 -1.57 0.00 0.00 175.55 176.24 1ib7 s THR 8 N -1.78 4.12 0.66 -0.71 -4.23 -1.26 0.23 115.64 112.67 1ib7 s THR 8 Ca 0.46 1.94 0.23 0.00 -1.18 0.00 0.00 61.69 63.14 1ib7 s THR 8 Cb -0.11 -4.15 0.24 0.00 1.34 0.00 0.00 72.50 69.81 1ib7 s THR 8 CO 0.21 0.31 1.70 0.17 -0.54 0.00 0.00 174.62 176.48 1ib7 h LEU 9 N 3.64 0.00 -1.71 4.79 -0.00 -1.95 0.95 115.31 121.03 1ib7 h LEU 9 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 1ib7 h LEU 9 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1ib7 h LEU 9 CO 0.66 0.00 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.72 1ib7 h GLU 10 N 0.00 0.12 0.00 0.17 5.08 -2.00 -2.86 114.58 115.09 1ib7 h GLU 10 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ib7 h GLU 10 Cb 1.02 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ib7 h GLU 10 CO -0.00 0.18 0.00 0.39 -1.00 0.00 0.00 179.01 178.58 1ib7 n GLU 11 N -4.41 0.00 -0.19 2.33 1.02 0.33 -2.04 120.64 117.69 1ib7 n GLU 11 Ca -0.02 0.24 0.15 0.00 -0.02 0.00 0.00 57.16 57.51 1ib7 n GLU 11 Cb 0.17 -1.08 0.28 0.00 -0.02 0.00 0.00 31.44 30.79 1ib7 n GLU 11 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1ib7 n ILE 12 N -1.21 -0.24 0.00 -3.67 -0.00 -1.23 0.22 119.36 113.24 1ib7 n ILE 12 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 62.75 63.96 1ib7 n ILE 12 Cb 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 39.64 37.75 1ib7 n ILE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ib7 n GLN 13 N -4.46 0.00 0.13 6.28 1.13 -1.08 -1.93 117.38 117.45 1ib7 n GLN 13 Ca 0.19 0.37 0.18 0.00 -1.94 0.00 0.00 57.00 55.80 1ib7 n GLN 13 Cb 0.64 -1.32 0.60 0.00 0.11 0.00 0.00 30.24 30.27 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 0.00 -2.00 -1.09 2.10 0.27 0.11 116.57 115.96 1ib7 h LYS 14 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1ib7 h LYS 14 Cb 0.00 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.14 1ib7 h LYS 14 CO 0.00 0.00 0.50 0.72 -2.00 0.00 0.00 179.45 178.67 1ib7 n HIS 15 N -3.22 1.82 -1.29 0.07 8.25 0.13 -4.36 115.22 116.63 1ib7 n HIS 15 Ca 0.07 -2.00 -0.03 0.00 -0.26 0.00 0.00 57.72 55.49 1ib7 n HIS 15 Cb 0.80 -1.35 0.22 0.00 1.12 0.00 0.00 29.99 30.78 1ib7 n HIS 15 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ib7 n LYS 16 N 0.64 2.28 -4.32 -0.41 5.02 0.38 -2.66 118.16 119.09 1ib7 n LYS 16 Ca 0.50 -3.07 -0.17 0.00 -2.02 0.00 0.00 58.31 53.55 1ib7 n LYS 16 Cb 0.50 -1.89 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ib7 s ASP 17 N -2.15 1.64 0.18 4.39 -1.08 -1.22 -4.94 116.67 113.49 1ib7 s ASP 17 Ca 0.46 -1.24 -0.13 0.00 -0.52 0.00 0.00 52.55 51.11 1ib7 s ASP 17 Cb 0.40 0.05 0.16 0.00 -1.46 0.00 0.00 42.92 42.07 1ib7 s ASP 17 CO 0.04 -0.56 1.73 -1.28 0.52 0.00 0.00 175.17 175.62 1ib7 h SER 18 N 2.48 0.08 -1.00 -0.34 0.87 -1.96 -1.60 113.55 112.08 1ib7 h SER 18 Ca -0.38 0.07 0.18 0.00 -1.23 0.00 0.00 61.79 60.43 1ib7 h SER 18 Cb 1.22 0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 63.09 1ib7 h SER 18 CO 0.64 0.07 -0.31 0.11 -0.53 0.00 0.00 176.83 176.81 1ib7 h LYS 19 N 0.28 -0.00 -2.75 2.24 6.56 -1.96 -3.29 116.57 117.64 1ib7 h LYS 19 Ca 0.23 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.28 1ib7 h LYS 19 Cb 0.27 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.53 1ib7 h LYS 19 CO -0.27 -0.00 -0.79 -1.12 -2.06 0.00 0.00 179.45 175.21 1ib7 s SER 20 N -5.30 3.42 -0.38 0.86 0.01 -0.65 -4.94 113.70 106.72 1ib7 s SER 20 Ca -0.14 -1.44 -0.11 0.00 1.31 0.00 0.00 55.95 55.56 1ib7 s SER 20 Cb 0.24 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.15 1ib7 s SER 20 CO 0.75 -0.42 0.21 -0.89 0.41 0.00 0.00 173.24 173.31 1ib7 s THR 21 N 1.93 4.61 0.24 1.44 2.01 -0.91 -3.37 115.64 121.58 1ib7 s THR 21 Ca 0.11 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.33 1ib7 s THR 21 Cb -0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1ib7 s THR 21 CO -0.30 -0.25 -0.02 0.26 -0.69 0.00 0.00 174.62 173.61 1ib7 s TRP 22 N 1.56 2.70 -0.23 4.92 0.52 -1.09 -2.46 118.94 124.86 1ib7 s TRP 22 Ca 0.02 -0.21 -0.09 0.00 0.02 0.00 0.00 56.10 55.84 1ib7 s TRP 22 Cb -0.19 -1.23 0.10 0.00 -1.15 0.00 0.00 33.47 31.00 1ib7 s TRP 22 CO 0.07 0.59 0.51 0.54 0.02 0.00 0.00 176.95 178.68 1ib7 s VAL 23 N -2.15 -0.69 -0.34 4.03 0.11 -1.20 -1.22 120.40 118.93 1ib7 s VAL 23 Ca 0.30 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 1ib7 s VAL 23 Cb -0.07 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1ib7 s VAL 23 CO 0.19 0.04 1.67 -0.63 -3.33 0.00 0.00 175.10 173.04 1ib7 s ILE 24 N 2.58 3.62 -0.19 7.04 1.01 -1.22 -0.23 121.20 133.80 1ib7 s ILE 24 Ca -0.04 0.64 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1ib7 s ILE 24 Cb -0.11 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1ib7 s ILE 24 CO -0.15 -0.50 -0.18 -0.76 0.00 0.00 0.00 174.94 173.34 1ib7 s LEU 25 N 6.29 2.28 -1.34 2.97 1.02 -0.02 -3.62 118.68 126.25 1ib7 s LEU 25 Ca 0.74 -0.69 -0.21 0.00 0.02 0.00 0.00 54.13 53.99 1ib7 s LEU 25 Cb -0.20 -1.50 0.03 0.00 0.02 0.00 0.00 46.19 44.53 1ib7 s LEU 25 CO 0.33 -0.02 0.40 1.41 0.02 0.00 0.00 176.35 178.49 1ib7 n HIS 26 N 4.62 -1.31 -3.64 0.29 8.25 -1.26 0.65 115.22 122.82 1ib7 n HIS 26 Ca -0.20 0.27 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1ib7 n HIS 26 Cb 0.49 -2.74 0.04 0.00 1.12 0.00 0.00 29.99 28.90 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 -4.87 -1.97 -3.15 4.41 8.25 -1.26 -4.97 115.22 111.66 1ib7 n HIS 27 Ca -0.20 0.83 0.05 0.00 -0.26 0.00 0.00 57.72 58.14 1ib7 n HIS 27 Cb 0.61 -4.41 -0.00 0.00 1.12 0.00 0.00 29.99 27.31 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 -5.81 0.35 0.41 -0.41 -0.14 0.21 -4.71 119.74 109.63 1ib7 s LYS 28 Ca 0.05 0.39 -0.27 0.00 -1.36 0.00 0.00 55.97 54.79 1ib7 s LYS 28 Cb -0.01 0.19 -0.10 0.00 -1.68 0.00 0.00 37.83 36.23 1ib7 s LYS 28 CO 0.80 -0.60 1.45 0.14 -0.76 0.00 0.00 175.35 176.37 1ib7 s VAL 29 N 2.90 2.10 -0.33 3.17 -7.23 -0.90 -0.84 120.40 119.26 1ib7 s VAL 29 Ca 0.17 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.45 1ib7 s VAL 29 Cb -0.07 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 33.89 1ib7 s VAL 29 CO -0.23 0.02 0.05 -0.31 -0.31 0.00 0.00 175.10 174.32 1ib7 s TYR 30 N -1.17 3.50 -0.98 2.82 1.51 0.68 -4.31 117.35 119.41 1ib7 s TYR 30 Ca 0.57 -2.43 -0.20 0.00 -1.01 0.00 0.00 57.07 53.99 1ib7 s TYR 30 Cb -0.45 -2.61 -0.10 0.00 -0.11 0.00 0.00 41.96 38.70 1ib7 s TYR 30 CO 0.59 -0.90 1.99 -3.47 -1.11 0.00 0.00 175.55 172.65 1ib7 n ASP 31 N 4.47 2.94 -2.05 2.29 2.03 -0.96 -3.26 116.55 122.02 1ib7 n ASP 31 Ca -0.05 -2.73 -0.19 0.00 0.52 0.00 0.00 54.79 52.34 1ib7 n ASP 31 Cb 0.42 -1.30 0.01 0.00 -0.72 0.00 0.00 41.12 39.53 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 7.69 6.43 0.18 -2.67 -0.00 -1.03 -4.50 117.00 123.10 1ib7 n LEU 32 Ca 0.50 -3.49 -0.14 0.00 -0.00 0.00 0.00 56.01 52.88 1ib7 n LEU 32 Cb 0.41 -1.11 -0.08 0.00 -0.00 0.00 0.00 43.42 42.63 1ib7 n LEU 32 CO 0.97 1.37 0.62 0.74 -0.00 0.00 0.00 177.39 181.09 1ib7 h THR 33 N 1.28 0.69 -0.79 1.47 2.02 -1.83 0.60 112.91 116.36 1ib7 h THR 33 Ca 0.31 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1ib7 h THR 33 Cb 0.88 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1ib7 h THR 33 CO 0.77 0.08 0.33 0.11 0.37 0.00 0.00 175.52 177.18 1ib7 h LYS 34 N -0.66 1.16 -0.68 6.66 6.56 -1.89 -1.09 116.57 126.62 1ib7 h LYS 34 Ca -0.04 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 1ib7 h LYS 34 Cb 0.47 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1ib7 h LYS 34 CO 0.07 0.93 0.00 0.98 -2.06 0.00 0.00 179.45 179.37 1ib7 n TYR 35 N -4.29 0.92 -0.03 -1.35 9.36 -1.15 -4.08 117.16 116.55 1ib7 n TYR 35 Ca 0.07 -0.34 -0.13 0.00 3.32 0.00 0.00 57.90 60.82 1ib7 n TYR 35 Cb 0.18 -0.23 -0.11 0.00 -0.63 0.00 0.00 39.34 38.55 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 2.07 -0.00 -0.16 2.98 7.12 0.16 -2.09 115.31 125.39 1ib7 h LEU 36 Ca 0.00 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.40 1ib7 h LEU 36 Cb 1.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1ib7 h LEU 36 CO 0.19 0.61 -0.39 -1.84 -0.13 0.00 0.00 178.44 176.88 1ib7 n GLU 37 N -4.80 0.29 0.10 1.25 0.28 -1.26 -3.62 120.64 112.88 1ib7 n GLU 37 Ca -0.09 -0.16 0.03 0.00 -0.16 0.00 0.00 57.16 56.78 1ib7 n GLU 37 Cb 0.31 -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 0.40 0.00 -6.27 3.44 4.57 -1.70 -3.47 114.58 111.56 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 0.30 0.70 1.58 -1.18 0.00 0.00 179.01 180.41 1ib7 n HIS 39 N -3.00 1.86 0.11 0.92 -0.00 -0.79 -4.85 115.22 109.47 1ib7 n HIS 39 Ca -0.03 0.49 -0.04 0.00 0.46 0.00 0.00 57.72 58.60 1ib7 n HIS 39 Cb 0.74 -2.43 0.06 0.00 -0.12 0.00 0.00 29.99 28.24 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 5.98 0.03 0.25 1.57 0.13 -1.91 -3.34 132.00 134.71 1ib7 h PRO 40 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1ib7 h PRO 40 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ib7 h PRO 40 CO 0.86 0.78 -0.12 0.78 -0.23 0.00 0.00 178.00 180.07 1ib7 h GLY 41 N 2.17 -0.35 -4.31 1.56 0.00 -1.99 -3.48 103.07 96.66 1ib7 h GLY 41 Ca -0.01 0.13 0.19 0.00 0.00 0.00 0.00 47.33 47.64 1ib7 h GLY 41 CO 0.10 -0.13 0.76 -0.32 0.00 0.00 0.00 176.54 176.96 1ib7 s GLY 42 N -1.60 -0.17 0.06 4.60 0.00 -1.26 -5.03 107.32 103.92 1ib7 s GLY 42 Ca -0.05 2.09 0.17 0.00 0.00 0.00 0.00 44.72 46.93 1ib7 s GLY 42 CO 0.15 0.85 0.81 -1.84 0.00 0.00 0.00 173.10 173.07 1ib7 n GLU 43 N 0.34 0.62 -0.06 2.90 0.28 -1.26 -4.18 120.64 119.27 1ib7 n GLU 43 Ca -0.03 0.21 -0.10 0.00 -0.16 0.00 0.00 57.16 57.08 1ib7 n GLU 43 Cb 0.59 -1.80 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 1ib7 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ib7 h GLU 44 N 0.00 -0.01 -1.89 3.44 4.81 -1.96 -2.21 114.58 116.76 1ib7 h GLU 44 Ca -0.17 0.00 0.55 0.00 -0.13 0.00 0.00 59.36 59.61 1ib7 h GLU 44 Cb 1.58 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.89 1ib7 h GLU 44 CO 0.04 0.69 1.41 1.55 -0.73 0.00 0.00 179.01 181.98 1ib7 n VAL 45 N -4.67 0.00 -0.09 0.32 3.14 -1.26 0.24 118.33 116.01 1ib7 n VAL 45 Ca -0.07 1.47 -0.15 0.00 -2.96 0.00 0.00 64.34 62.63 1ib7 n VAL 45 Cb 0.34 -2.47 -0.09 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 0.89 6.55 3.38 -1.72 -3.34 115.31 121.06 1ib7 h LEU 46 Ca 0.90 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 1ib7 h LEU 46 Cb 3.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.47 1ib7 h LEU 46 CO -0.01 1.16 -0.43 0.03 0.09 0.00 0.00 178.44 179.29 1ib7 h ARG 47 N -1.00 -1.15 -0.70 1.13 3.08 0.14 1.29 114.38 117.17 1ib7 h ARG 47 Ca -0.18 0.08 0.22 0.00 0.07 0.00 0.00 59.98 60.17 1ib7 h ARG 47 Cb 0.97 0.26 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 1ib7 h ARG 47 CO -0.11 -0.76 0.13 -1.91 -1.07 0.00 0.00 179.97 176.24 1ib7 n GLU 48 N -5.56 -0.05 -2.54 0.04 2.13 0.65 0.58 120.64 115.89 1ib7 n GLU 48 Ca -0.15 1.03 -0.18 0.00 0.66 0.00 0.00 57.16 58.52 1ib7 n GLU 48 Cb 0.47 -1.70 0.02 0.00 0.27 0.00 0.00 31.44 30.50 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 -4.85 2.46 0.00 5.31 10.64 -1.10 -4.92 117.38 124.93 1ib7 n GLN 49 Ca 0.20 -3.94 0.00 0.00 -1.83 0.00 0.00 57.00 51.42 1ib7 n GLN 49 Cb 0.65 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 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 -0.34 0.00 -0.54 2.61 0.00 0.44 -4.02 120.51 118.65 1ib7 n ALA 50 Ca 0.26 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.14 1ib7 n ALA 50 Cb 0.75 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.94 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 0.53 0.00 0.00 0.00 -1.14 -3.32 103.07 99.13 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 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 176.99 1ib7 n GLY 52 N -1.74 -3.39 2.75 4.60 0.00 -1.26 -4.50 105.19 101.65 1ib7 n GLY 52 Ca 0.39 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 2.25 -0.24 1.61 2.15 -1.26 -3.45 116.67 115.76 1ib7 s ASP 53 Ca 0.00 -0.45 0.12 0.00 0.43 0.00 0.00 52.55 52.65 1ib7 s ASP 53 Cb 0.00 -0.52 0.48 0.00 -0.30 0.00 0.00 42.92 42.58 1ib7 s ASP 53 CO 0.00 -0.25 1.39 0.00 -0.17 0.00 0.00 175.17 176.14 1ib7 n ALA 54 N 5.10 3.68 -0.21 3.66 0.00 -1.24 -4.80 120.51 126.70 1ib7 n ALA 54 Ca -0.08 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1ib7 n ALA 54 Cb 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1ib7 n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ib7 n THR 55 N -1.01 0.00 -0.14 0.00 -1.04 -1.24 0.17 114.28 111.02 1ib7 n THR 55 Ca 0.27 1.40 0.01 0.00 -2.04 0.00 0.00 64.05 63.68 1ib7 n THR 55 Cb 0.92 -2.15 0.28 0.00 -1.82 0.00 0.00 70.33 67.56 1ib7 n THR 55 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ib7 h GLU 56 N 0.00 0.84 0.00 -2.82 5.08 -1.93 0.43 114.58 116.18 1ib7 h GLU 56 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ib7 h GLU 56 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ib7 h GLU 56 CO 0.00 0.60 0.00 -0.91 -1.00 0.00 0.00 179.01 177.70 1ib7 h ASN 57 N 0.86 0.00 0.01 1.42 4.21 -1.77 1.77 115.58 122.08 1ib7 h ASN 57 Ca 0.22 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 57.35 1ib7 h ASN 57 Cb -0.02 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.11 1ib7 h ASN 57 CO -0.04 0.00 -2.45 0.33 -1.29 0.00 0.00 177.43 173.98 1ib7 n PHE 58 N -2.48 0.08 0.06 1.19 7.35 0.46 -4.16 117.46 119.95 1ib7 n PHE 58 Ca 0.00 0.02 -0.08 0.00 -0.76 0.00 0.00 57.45 56.63 1ib7 n PHE 58 Cb 0.17 -1.01 -0.12 0.00 0.35 0.00 0.00 39.48 38.86 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 -0.00 0.02 -0.61 -4.13 4.39 0.01 -3.23 114.58 111.04 1ib7 h GLU 59 Ca -0.57 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.12 1ib7 h GLU 59 Cb 1.91 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.53 1ib7 h GLU 59 CO -0.08 0.97 0.38 0.22 -1.16 0.00 0.00 179.01 179.34 1ib7 h ASP 60 N 0.01 0.63 0.70 1.42 1.82 0.25 0.22 116.42 121.46 1ib7 h ASP 60 Ca -0.05 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1ib7 h ASP 60 Cb 1.81 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.68 1ib7 h ASP 60 CO 0.13 0.44 0.00 -0.37 -1.61 0.00 0.00 179.24 177.83 1ib7 h VAL 61 N 0.76 0.00 -5.25 2.25 -1.51 -1.72 -3.48 116.25 107.31 1ib7 h VAL 61 Ca 0.24 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ib7 h VAL 61 Cb 0.00 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1ib7 h VAL 61 CO -0.09 0.00 -0.72 0.61 -1.23 0.00 0.00 177.57 176.14 1ib7 n GLY 62 N -0.11 -2.53 3.76 5.19 0.00 0.76 -4.93 105.19 107.33 1ib7 n GLY 62 Ca 0.02 0.93 -0.40 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.19 3.31 0.77 1.61 3.76 -1.25 -5.02 115.29 116.28 1ib7 s HIS 63 Ca 0.15 1.56 -0.10 0.00 -0.15 0.00 0.00 55.06 56.52 1ib7 s HIS 63 Cb -0.04 -3.47 0.07 0.00 1.11 0.00 0.00 32.58 30.25 1ib7 s HIS 63 CO 0.77 -1.18 1.11 -1.12 -0.85 0.00 0.00 174.74 173.47 1ib7 s SER 64 N -0.71 4.64 0.22 1.40 0.01 -1.26 -4.88 113.70 113.11 1ib7 s SER 64 Ca 0.47 0.65 -0.10 0.00 1.31 0.00 0.00 55.95 58.29 1ib7 s SER 64 Cb -0.35 -1.21 0.32 0.00 0.21 0.00 0.00 66.02 64.99 1ib7 s SER 64 CO 0.46 -1.78 1.68 0.74 0.41 0.00 0.00 173.24 174.75 1ib7 h THR 65 N -0.87 0.54 -1.00 1.44 2.02 -1.99 0.18 112.91 113.23 1ib7 h THR 65 Ca -0.45 -0.06 0.38 0.00 0.77 0.00 0.00 66.41 67.05 1ib7 h THR 65 Cb 1.32 0.34 -0.18 0.00 -1.74 0.00 0.00 68.15 67.90 1ib7 h THR 65 CO 0.64 0.03 0.43 0.44 0.37 0.00 0.00 175.52 177.43 1ib7 h ASP 66 N 0.18 0.16 -0.14 4.18 5.19 -2.01 1.59 116.42 125.58 1ib7 h ASP 66 Ca 0.34 0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 56.96 1ib7 h ASP 66 Cb 0.54 0.31 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 1ib7 h ASP 66 CO -0.49 -0.40 -0.09 0.00 -3.12 0.00 0.00 179.24 175.14 1ib7 h ALA 67 N 1.99 0.19 -1.00 3.45 0.00 -1.00 -2.80 119.26 120.09 1ib7 h ALA 67 Ca 0.79 -0.29 0.36 0.00 0.00 0.00 0.00 54.91 55.77 1ib7 h ALA 67 Cb 1.99 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.58 1ib7 h ALA 67 CO -0.79 0.02 0.54 -0.09 0.00 0.00 0.00 179.25 178.93 1ib7 h ARG 68 N -0.06 0.19 -0.00 0.00 2.43 0.27 1.01 114.38 118.22 1ib7 h ARG 68 Ca 0.03 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ib7 h ARG 68 Cb 0.58 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ib7 h ARG 68 CO 0.03 0.13 -0.00 0.93 -1.51 0.00 0.00 179.97 179.54 1ib7 h GLU 69 N 0.20 0.00 0.49 0.20 3.07 -1.17 -2.45 114.58 114.92 1ib7 h GLU 69 Ca 0.77 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.61 1ib7 h GLU 69 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1ib7 h GLU 69 CO -0.67 0.49 -0.24 -0.07 -1.40 0.00 0.00 179.01 177.12 1ib7 h LEU 70 N -0.48 -0.56 -0.86 1.33 4.07 0.17 0.33 115.31 119.31 1ib7 h LEU 70 Ca 0.00 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.11 1ib7 h LEU 70 Cb 0.49 0.14 -0.13 0.00 1.08 0.00 0.00 40.66 42.24 1ib7 h LEU 70 CO 0.00 -0.39 -0.36 -1.54 -1.08 0.00 0.00 178.44 175.07 1ib7 n SER 71 N -3.82 -0.60 -0.28 -0.43 3.41 0.30 0.25 113.62 112.46 1ib7 n SER 71 Ca -0.08 1.50 -0.05 0.00 -0.26 0.00 0.00 58.87 59.99 1ib7 n SER 71 Cb 0.26 -0.33 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.01 -0.01 4.33 1.63 -1.34 -1.05 116.57 121.15 1ib7 h LYS 72 Ca 0.28 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1ib7 h LYS 72 Cb 0.49 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1ib7 h LYS 72 CO -0.85 0.68 -0.31 1.15 -3.45 0.00 0.00 179.45 176.67 1ib7 h THR 73 N 1.03 1.23 -1.00 1.00 2.02 0.72 -2.57 112.91 115.34 1ib7 h THR 73 Ca 0.28 -1.09 -0.65 0.00 0.77 0.00 0.00 66.41 65.71 1ib7 h THR 73 Cb -0.09 1.58 -0.29 0.00 -1.74 0.00 0.00 68.15 67.60 1ib7 h THR 73 CO -0.06 0.31 0.84 -1.22 0.37 0.00 0.00 175.52 175.76 1ib7 n TYR 74 N -4.16 3.21 -4.48 3.16 4.02 0.71 -4.94 117.16 114.67 1ib7 n TYR 74 Ca -0.02 -2.85 -0.34 0.00 -0.01 0.00 0.00 57.90 54.68 1ib7 n TYR 74 Cb 0.36 -1.37 -0.10 0.00 -0.02 0.00 0.00 39.34 38.20 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 -4.58 4.05 0.00 -0.72 1.10 -0.93 -2.26 121.20 117.86 1ib7 s ILE 75 Ca 0.64 -0.35 0.00 0.00 -0.51 0.00 0.00 60.65 60.43 1ib7 s ILE 75 Cb 0.50 -2.68 0.00 0.00 0.15 0.00 0.00 42.46 40.43 1ib7 s ILE 75 CO 0.01 0.60 0.00 2.30 -2.11 0.00 0.00 174.94 175.74 1ib7 n ILE 76 N 2.19 0.00 -3.61 2.00 -0.00 -1.26 -4.98 119.36 113.71 1ib7 n ILE 76 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1ib7 n ILE 76 Cb 0.53 -0.49 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 2.48 -0.76 3.60 3.28 0.00 -1.26 -4.62 105.19 107.91 1ib7 n GLY 77 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.21 1.92 0.11 1.61 -1.05 0.19 -2.12 118.70 118.14 1ib7 s GLU 78 Ca 0.00 -2.08 0.05 0.00 -0.15 0.00 0.00 54.97 52.79 1ib7 s GLU 78 Cb 0.00 -1.54 -0.04 0.00 -0.44 0.00 0.00 34.13 32.11 1ib7 s GLU 78 CO 0.00 -0.07 0.02 -0.48 0.95 0.00 0.00 175.26 175.68 1ib7 s LEU 79 N -3.68 3.50 -0.78 1.83 -0.00 -1.26 0.03 118.68 118.32 1ib7 s LEU 79 Ca 0.35 -0.19 -0.32 0.00 -0.00 0.00 0.00 54.13 53.97 1ib7 s LEU 79 Cb 0.10 -2.20 -0.19 0.00 -0.00 0.00 0.00 46.19 43.89 1ib7 s LEU 79 CO 0.18 0.15 2.33 1.57 -0.00 0.00 0.00 176.35 180.58 1ib7 n HIS 80 N 0.38 0.69 1.44 3.48 -0.00 0.62 -4.68 115.22 117.14 1ib7 n HIS 80 Ca -0.10 0.46 0.12 0.00 -0.00 0.00 0.00 57.72 58.20 1ib7 n HIS 80 Cb 0.53 -2.17 0.69 0.00 -0.00 0.00 0.00 29.99 29.04 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 7.54 0.70 0.09 1.57 -0.04 -1.26 -2.61 135.00 140.99 1ib7 n PRO 81 Ca 0.58 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1ib7 n PRO 81 Cb 0.01 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.34 -0.21 3.54 3.58 -1.99 -3.17 116.42 118.51 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 0.03 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ib7 h ASP 82 CO 0.00 1.26 0.00 0.47 -2.88 0.00 0.00 179.24 178.09 1ib7 n ASP 83 N -3.53 3.05 0.17 2.28 9.92 -1.07 -4.20 116.55 123.17 1ib7 n ASP 83 Ca -0.06 -1.95 0.11 0.00 -0.53 0.00 0.00 54.79 52.36 1ib7 n ASP 83 Cb 0.98 -0.13 0.60 0.00 -0.64 0.00 0.00 41.12 41.93 1ib7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ib7 n ARG 84 N 1.29 0.15 0.06 -1.24 1.74 -1.16 -0.83 116.66 116.66 1ib7 n ARG 84 Ca 0.17 0.63 -0.18 0.00 -0.77 0.00 0.00 57.85 57.70 1ib7 n ARG 84 Cb 0.57 -1.97 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 1ib7 n ARG 84 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ib7 h SER 85 N 0.00 0.43 -0.35 0.55 0.87 -1.79 -3.27 113.55 109.99 1ib7 h SER 85 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1ib7 h SER 85 Cb 0.03 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1ib7 h SER 85 CO 0.00 1.54 0.00 0.29 -0.53 0.00 0.00 176.83 178.13 1ib7 n LYS 86 N -3.47 2.80 0.06 2.24 5.02 -0.01 -3.93 118.16 120.87 1ib7 n LYS 86 Ca -0.20 -1.68 -0.18 0.00 -2.02 0.00 0.00 58.31 54.24 1ib7 n LYS 86 Cb 1.05 -1.74 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 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 2.30 1.33 0.00 -0.18 6.09 -1.37 -3.51 117.51 122.16 1ib7 h ILE 87 Ca 0.00 -2.37 0.00 0.00 -1.37 0.00 0.00 64.86 61.12 1ib7 h ILE 87 Cb 1.09 2.45 0.00 0.00 0.47 0.00 0.00 36.82 40.82 1ib7 h ILE 87 CO 0.19 0.72 0.00 0.00 -3.07 0.00 0.00 178.15 175.99