#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 3.43 -0.35 1.45 2.47 -1.26 -4.99 119.74 120.48 1ib7 s LYS 5 Ca 0.00 -0.60 -0.13 0.00 -1.56 0.00 0.00 55.97 53.68 1ib7 s LYS 5 Cb 0.00 -3.05 -0.00 0.00 -1.46 0.00 0.00 37.83 33.32 1ib7 s LYS 5 CO 0.00 -0.18 0.24 0.71 0.16 0.00 0.00 175.35 176.28 1ib7 s TYR 6 N 1.45 3.23 0.24 4.03 2.02 -1.24 0.42 117.35 127.50 1ib7 s TYR 6 Ca 0.05 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 1ib7 s TYR 6 Cb -0.14 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1ib7 s TYR 6 CO -0.02 -0.45 0.32 0.71 -1.57 0.00 0.00 175.55 174.54 1ib7 s TYR 7 N 1.68 3.36 0.07 2.71 2.02 0.52 -4.72 117.35 123.00 1ib7 s TYR 7 Ca 0.05 -0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.52 1ib7 s TYR 7 Cb -0.18 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 1ib7 s TYR 7 CO 0.09 0.46 0.55 0.95 -1.57 0.00 0.00 175.55 176.04 1ib7 s THR 8 N -2.02 4.77 0.63 -0.71 -4.23 -1.26 0.23 115.64 113.05 1ib7 s THR 8 Ca 0.34 1.16 0.22 0.00 -1.18 0.00 0.00 61.69 62.23 1ib7 s THR 8 Cb -0.09 -3.87 0.27 0.00 1.34 0.00 0.00 72.50 70.15 1ib7 s THR 8 CO 0.28 0.54 1.57 0.17 -0.54 0.00 0.00 174.62 176.64 1ib7 h LEU 9 N 4.50 0.00 -1.53 4.79 -0.00 -1.88 1.61 115.31 122.79 1ib7 h LEU 9 Ca -0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.35 1ib7 h LEU 9 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1ib7 h LEU 9 CO 0.63 0.00 -0.08 -0.08 -0.00 0.00 0.00 178.44 178.91 1ib7 h GLU 10 N 0.00 0.20 0.00 0.17 4.57 -1.97 -2.93 114.58 114.62 1ib7 h GLU 10 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1ib7 h GLU 10 Cb 1.57 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1ib7 h GLU 10 CO -0.00 0.30 0.00 0.39 -1.18 0.00 0.00 179.01 178.51 1ib7 n GLU 11 N -4.34 0.00 -0.21 1.92 4.71 0.55 -1.45 120.64 121.81 1ib7 n GLU 11 Ca -0.01 0.22 0.21 0.00 -0.01 0.00 0.00 57.16 57.57 1ib7 n GLU 11 Cb 0.22 -1.16 0.38 0.00 -1.01 0.00 0.00 31.44 29.88 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 -0.28 0.00 -3.67 -0.00 -1.23 0.13 119.36 113.16 1ib7 n ILE 12 Ca 0.00 1.36 0.00 0.00 -0.00 0.00 0.00 62.75 64.11 1ib7 n ILE 12 Cb 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 39.64 37.45 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 -4.52 0.00 -0.03 6.28 1.13 -1.11 -2.56 117.38 116.57 1ib7 n GLN 13 Ca 0.25 0.48 0.22 0.00 -1.94 0.00 0.00 57.00 56.01 1ib7 n GLN 13 Cb 0.84 -1.48 0.70 0.00 0.11 0.00 0.00 30.24 30.41 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 -1.85 -1.09 2.10 0.99 -0.21 116.57 116.51 1ib7 h LYS 14 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.22 1ib7 h LYS 14 Cb 0.00 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.17 1ib7 h LYS 14 CO 0.00 0.00 0.35 0.72 -2.00 0.00 0.00 179.45 178.52 1ib7 n HIS 15 N -4.36 1.49 -1.00 0.07 8.25 0.34 -4.19 115.22 115.83 1ib7 n HIS 15 Ca 0.11 -1.93 0.08 0.00 -0.26 0.00 0.00 57.72 55.72 1ib7 n HIS 15 Cb 0.66 -1.27 0.28 0.00 1.12 0.00 0.00 29.99 30.78 1ib7 n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ib7 n LYS 16 N 0.81 3.15 -4.34 -0.41 2.85 -0.09 -1.57 118.16 118.56 1ib7 n LYS 16 Ca 0.43 -2.90 -0.26 0.00 -1.05 0.00 0.00 58.31 54.53 1ib7 n LYS 16 Cb 0.58 -1.90 -0.09 0.00 -0.65 0.00 0.00 35.03 32.97 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1ib7 s ASP 17 N -1.80 4.19 0.11 -5.58 1.47 -1.09 -4.87 116.67 109.10 1ib7 s ASP 17 Ca 0.44 -1.20 -0.21 0.00 1.18 0.00 0.00 52.55 52.77 1ib7 s ASP 17 Cb 0.35 -0.45 -0.07 0.00 -0.34 0.00 0.00 42.92 42.41 1ib7 s ASP 17 CO 0.10 -0.49 1.73 -1.28 0.68 0.00 0.00 175.17 175.90 1ib7 h SER 18 N 1.58 -0.07 -0.88 2.11 0.87 -1.97 -1.64 113.55 113.56 1ib7 h SER 18 Ca -0.43 0.03 0.23 0.00 -1.23 0.00 0.00 61.79 60.39 1ib7 h SER 18 Cb 1.25 0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 63.12 1ib7 h SER 18 CO 0.74 -0.02 0.13 0.07 -0.53 0.00 0.00 176.83 177.23 1ib7 h LYS 19 N 0.03 0.12 -2.87 2.24 2.10 -1.96 -3.28 116.57 112.96 1ib7 h LYS 19 Ca 0.06 -0.01 -0.56 0.00 -2.00 0.00 0.00 60.65 58.15 1ib7 h LYS 19 Cb 0.08 -0.03 -0.40 0.00 -0.90 0.00 0.00 32.23 30.98 1ib7 h LYS 19 CO -0.11 0.08 -0.79 -1.12 -2.00 0.00 0.00 179.45 175.51 1ib7 s SER 20 N -5.08 3.46 -0.39 7.07 0.01 -0.72 -4.95 113.70 113.10 1ib7 s SER 20 Ca -0.13 -1.68 -0.12 0.00 1.31 0.00 0.00 55.95 55.34 1ib7 s SER 20 Cb 0.26 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1ib7 s SER 20 CO 0.77 -0.39 0.24 -0.89 0.41 0.00 0.00 173.24 173.37 1ib7 s THR 21 N 1.63 4.77 0.24 1.44 2.01 -0.70 -2.66 115.64 122.37 1ib7 s THR 21 Ca 0.12 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.41 1ib7 s THR 21 Cb -0.19 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1ib7 s THR 21 CO -0.22 -0.27 -0.13 0.26 -0.69 0.00 0.00 174.62 173.57 1ib7 s TRP 22 N 1.59 2.48 -0.24 4.92 0.52 -0.61 -2.44 118.94 125.16 1ib7 s TRP 22 Ca 0.03 -0.28 -0.10 0.00 0.02 0.00 0.00 56.10 55.77 1ib7 s TRP 22 Cb -0.19 -1.14 0.10 0.00 -1.15 0.00 0.00 33.47 31.08 1ib7 s TRP 22 CO 0.08 0.60 0.54 0.54 0.02 0.00 0.00 176.95 178.73 1ib7 s VAL 23 N -2.11 -0.60 -0.22 4.03 0.11 -1.19 -1.05 120.40 119.37 1ib7 s VAL 23 Ca 0.27 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.11 1ib7 s VAL 23 Cb -0.07 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1ib7 s VAL 23 CO 0.15 0.03 1.66 -0.63 -3.33 0.00 0.00 175.10 172.98 1ib7 s ILE 24 N 2.42 3.64 -0.19 7.04 1.01 -1.20 -0.58 121.20 133.34 1ib7 s ILE 24 Ca -0.05 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.32 1ib7 s ILE 24 Cb -0.10 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1ib7 s ILE 24 CO -0.16 -0.29 -0.12 -0.76 0.00 0.00 0.00 174.94 173.61 1ib7 s LEU 25 N 5.39 2.23 -1.36 2.97 1.02 0.68 -3.30 118.68 126.30 1ib7 s LEU 25 Ca 0.73 -0.82 -0.20 0.00 0.02 0.00 0.00 54.13 53.86 1ib7 s LEU 25 Cb -0.25 -1.27 0.03 0.00 0.02 0.00 0.00 46.19 44.72 1ib7 s LEU 25 CO 0.30 -0.12 0.38 1.41 0.02 0.00 0.00 176.35 178.35 1ib7 n HIS 26 N 4.68 -1.32 -3.51 0.29 8.25 -1.26 0.21 115.22 122.56 1ib7 n HIS 26 Ca -0.16 0.29 -0.19 0.00 -0.26 0.00 0.00 57.72 57.40 1ib7 n HIS 26 Cb 0.47 -2.77 0.06 0.00 1.12 0.00 0.00 29.99 28.87 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 -4.89 -2.12 -3.15 4.41 8.25 -1.26 -4.98 115.22 111.47 1ib7 n HIS 27 Ca -0.21 0.84 0.05 0.00 -0.26 0.00 0.00 57.72 58.15 1ib7 n HIS 27 Cb 0.62 -4.49 -0.01 0.00 1.12 0.00 0.00 29.99 27.23 1ib7 n HIS 27 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ib7 s LYS 28 N -5.43 0.28 0.32 -0.41 2.20 0.13 -4.59 119.74 112.25 1ib7 s LYS 28 Ca 0.14 0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 1ib7 s LYS 28 Cb -0.03 0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 36.41 1ib7 s LYS 28 CO 0.77 -0.39 1.32 0.14 -0.36 0.00 0.00 175.35 176.83 1ib7 s VAL 29 N 2.92 2.70 -0.30 4.02 -7.23 -0.96 -0.23 120.40 121.33 1ib7 s VAL 29 Ca 0.11 0.70 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1ib7 s VAL 29 Cb -0.09 -3.44 0.06 0.00 0.56 0.00 0.00 36.38 33.47 1ib7 s VAL 29 CO -0.17 0.16 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.45 1ib7 s TYR 30 N -1.04 3.32 -1.33 2.82 1.51 0.25 -4.28 117.35 118.61 1ib7 s TYR 30 Ca 0.50 -2.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.26 1ib7 s TYR 30 Cb -0.40 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.32 1ib7 s TYR 30 CO 0.52 -0.85 1.87 -3.47 -1.11 0.00 0.00 175.55 172.51 1ib7 n ASP 31 N 4.54 4.60 -2.03 2.29 2.03 -0.95 -3.15 116.55 123.87 1ib7 n ASP 31 Ca -0.11 -2.89 -0.22 0.00 0.52 0.00 0.00 54.79 52.08 1ib7 n ASP 31 Cb 0.43 -1.72 0.05 0.00 -0.72 0.00 0.00 41.12 39.15 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 7.99 6.83 0.08 -2.67 -0.00 -1.02 -4.54 117.00 123.66 1ib7 n LEU 32 Ca 0.50 -3.60 -0.12 0.00 -0.00 0.00 0.00 56.01 52.78 1ib7 n LEU 32 Cb 0.44 -1.04 -0.06 0.00 -0.00 0.00 0.00 43.42 42.76 1ib7 n LEU 32 CO 0.80 1.31 0.82 0.74 -0.00 0.00 0.00 177.39 181.06 1ib7 h THR 33 N 1.02 0.84 -0.46 1.47 2.02 -1.85 0.84 112.91 116.79 1ib7 h THR 33 Ca 0.38 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.43 1ib7 h THR 33 Cb 0.88 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1ib7 h THR 33 CO 1.00 0.00 -0.22 0.11 0.37 0.00 0.00 175.52 176.78 1ib7 h LYS 34 N -0.15 0.97 -0.88 6.66 6.56 -1.90 -2.56 116.57 125.26 1ib7 h LYS 34 Ca 0.00 -0.42 -0.12 0.00 -1.06 0.00 0.00 60.65 59.06 1ib7 h LYS 34 Cb 0.15 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.71 1ib7 h LYS 34 CO -0.02 1.09 0.15 0.98 -2.06 0.00 0.00 179.45 179.59 1ib7 n TYR 35 N -4.13 1.28 -0.05 -1.35 9.36 -1.02 -4.08 117.16 117.16 1ib7 n TYR 35 Ca -0.00 -0.72 -0.15 0.00 3.32 0.00 0.00 57.90 60.34 1ib7 n TYR 35 Cb 0.46 -0.44 -0.13 0.00 -0.63 0.00 0.00 39.34 38.60 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 1.58 0.08 -0.20 2.98 7.12 0.11 -2.93 115.31 124.05 1ib7 h LEU 36 Ca 0.14 -0.96 0.00 0.00 0.13 0.00 0.00 57.88 57.19 1ib7 h LEU 36 Cb 1.56 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 1ib7 h LEU 36 CO 0.39 1.10 -0.39 -0.62 -0.13 0.00 0.00 178.44 178.78 1ib7 n GLU 37 N -4.52 0.34 0.09 1.25 1.02 -1.26 -3.64 120.64 113.93 1ib7 n GLU 37 Ca -0.12 -0.20 0.05 0.00 -0.02 0.00 0.00 57.16 56.87 1ib7 n GLU 37 Cb 0.55 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1ib7 n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ib7 h GLU 38 N 0.48 0.00 -6.27 3.49 4.22 -1.71 -3.47 114.58 111.32 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 0.08 0.00 0.00 59.36 58.77 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ib7 h GLU 38 CO 0.00 0.22 0.69 1.58 -2.18 0.00 0.00 179.01 179.32 1ib7 n HIS 39 N -2.91 1.85 0.11 0.92 -0.00 -1.10 -4.85 115.22 109.24 1ib7 n HIS 39 Ca -0.03 0.49 -0.03 0.00 0.46 0.00 0.00 57.72 58.61 1ib7 n HIS 39 Cb 0.70 -2.43 0.08 0.00 -0.12 0.00 0.00 29.99 28.22 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 5.93 0.00 0.17 1.57 0.13 -1.92 -3.35 132.00 134.53 1ib7 h PRO 40 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.74 -0.08 0.78 -0.23 0.00 0.00 178.00 180.07 1ib7 h GLY 41 N 2.27 -0.24 -4.71 1.56 0.00 -1.99 -3.48 103.07 96.48 1ib7 h GLY 41 Ca -0.01 0.09 0.16 0.00 0.00 0.00 0.00 47.33 47.58 1ib7 h GLY 41 CO 0.10 -0.09 0.76 -0.32 0.00 0.00 0.00 176.54 176.99 1ib7 s GLY 42 N -1.51 -0.08 0.19 4.60 0.00 -1.26 -5.03 107.32 104.23 1ib7 s GLY 42 Ca -0.03 2.46 0.19 0.00 0.00 0.00 0.00 44.72 47.34 1ib7 s GLY 42 CO 0.10 1.08 1.07 1.05 0.00 0.00 0.00 173.10 176.40 1ib7 h GLU 43 N 2.31 0.00 0.00 2.90 4.11 -1.82 -3.36 114.58 118.72 1ib7 h GLU 43 Ca -0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 1ib7 h GLU 43 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ib7 h GLU 43 CO 0.26 0.17 -0.13 0.93 0.07 0.00 0.00 179.01 180.32 1ib7 h GLU 44 N 0.00 0.00 -1.83 1.06 5.08 -1.96 -2.53 114.58 114.40 1ib7 h GLU 44 Ca -0.06 0.00 0.53 0.00 -1.00 0.00 0.00 59.36 58.83 1ib7 h GLU 44 Cb 1.27 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1ib7 h GLU 44 CO 0.03 0.55 1.40 1.55 -1.00 0.00 0.00 179.01 181.54 1ib7 n VAL 45 N -4.66 0.00 -0.05 3.13 3.14 -1.26 0.25 118.33 118.88 1ib7 n VAL 45 Ca -0.08 1.46 -0.02 0.00 -2.96 0.00 0.00 64.34 62.74 1ib7 n VAL 45 Cb 0.30 -2.46 -0.01 0.00 -1.06 0.00 0.00 33.84 30.61 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 0.63 6.55 3.38 -1.70 -3.34 115.31 120.83 1ib7 h LEU 46 Ca 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.82 1ib7 h LEU 46 Cb 3.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 44.41 1ib7 h LEU 46 CO -0.01 0.57 -0.37 0.03 0.09 0.00 0.00 178.44 178.75 1ib7 h ARG 47 N -0.93 -0.90 -0.65 1.13 3.08 0.17 0.92 114.38 117.20 1ib7 h ARG 47 Ca 0.00 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.31 1ib7 h ARG 47 Cb 0.21 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.35 1ib7 h ARG 47 CO 0.00 -0.60 0.08 -1.91 -1.07 0.00 0.00 179.97 176.47 1ib7 n GLU 48 N -5.51 -0.05 -2.57 0.04 2.13 0.71 0.45 120.64 115.84 1ib7 n GLU 48 Ca -0.13 0.96 -0.17 0.00 0.66 0.00 0.00 57.16 58.47 1ib7 n GLU 48 Cb 0.40 -1.56 0.02 0.00 0.27 0.00 0.00 31.44 30.57 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 -4.78 2.23 0.00 5.31 10.64 -0.97 -4.94 117.38 124.87 1ib7 n GLN 49 Ca 0.17 -3.84 0.00 0.00 -1.83 0.00 0.00 57.00 51.50 1ib7 n GLN 49 Cb 0.56 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 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 -0.27 0.00 -0.55 2.61 0.00 0.32 -3.93 120.51 118.69 1ib7 n ALA 50 Ca 0.23 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.12 1ib7 n ALA 50 Cb 0.75 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.93 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 0.94 0.00 0.00 0.00 -1.08 -3.33 103.07 99.61 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 -0.33 0.00 0.61 0.00 0.00 0.00 176.54 176.82 1ib7 n GLY 52 N -1.65 -3.34 2.93 4.60 0.00 -1.25 -4.43 105.19 102.04 1ib7 n GLY 52 Ca 0.42 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.03 3.17 -0.21 1.61 -1.08 -1.26 -3.22 116.67 113.65 1ib7 s ASP 53 Ca 0.00 -0.81 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1ib7 s ASP 53 Cb 0.00 -1.06 0.44 0.00 -1.46 0.00 0.00 42.92 40.83 1ib7 s ASP 53 CO 0.00 -0.18 1.32 0.00 0.52 0.00 0.00 175.17 176.83 1ib7 n ALA 54 N 4.78 3.37 0.33 3.66 0.00 -1.22 -4.76 120.51 126.68 1ib7 n ALA 54 Ca -0.13 -2.88 -0.15 0.00 0.00 0.00 0.00 53.44 50.28 1ib7 n ALA 54 Cb 0.47 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 0.92 0.00 -0.78 0.00 2.02 -1.93 0.58 112.91 113.72 1ib7 h THR 55 Ca 0.07 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1ib7 h THR 55 Cb 1.30 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1ib7 h THR 55 CO 0.17 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 176.07 1ib7 h GLU 56 N -0.93 1.14 0.00 6.66 4.39 -1.92 0.26 114.58 124.19 1ib7 h GLU 56 Ca -0.08 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1ib7 h GLU 56 Cb 0.74 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1ib7 h GLU 56 CO 0.08 0.90 -0.06 -0.91 -1.16 0.00 0.00 179.01 177.86 1ib7 h ASN 57 N 1.12 0.00 0.15 1.42 4.21 -1.83 1.55 115.58 122.21 1ib7 h ASN 57 Ca 0.27 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.42 1ib7 h ASN 57 Cb 0.16 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1ib7 h ASN 57 CO -0.03 0.06 -1.92 0.15 -1.29 0.00 0.00 177.43 174.40 1ib7 h PHE 58 N 0.00 0.56 0.09 1.19 3.04 0.18 -3.29 116.94 118.72 1ib7 h PHE 58 Ca -0.00 -0.41 -0.26 0.00 3.98 0.00 0.00 57.97 61.27 1ib7 h PHE 58 Cb 0.27 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.76 1ib7 h PHE 58 CO 0.00 1.76 -1.16 0.93 -2.02 0.00 0.00 178.31 177.82 1ib7 h GLU 59 N 0.08 0.37 -0.62 1.11 5.08 -0.09 -3.08 114.58 117.42 1ib7 h GLU 59 Ca -0.40 -0.52 0.06 0.00 -1.00 0.00 0.00 59.36 57.51 1ib7 h GLU 59 Cb 2.06 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 31.43 1ib7 h GLU 59 CO 0.12 1.21 0.32 0.22 -1.00 0.00 0.00 179.01 179.88 1ib7 h ASP 60 N 0.15 0.45 0.81 1.42 3.58 0.21 0.42 116.42 123.45 1ib7 h ASP 60 Ca -0.13 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1ib7 h ASP 60 Cb 1.85 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.85 1ib7 h ASP 60 CO 0.20 0.29 0.00 -0.37 -2.88 0.00 0.00 179.24 176.48 1ib7 h VAL 61 N 0.59 0.00 -5.06 2.25 -1.51 -1.62 -3.48 116.25 107.43 1ib7 h VAL 61 Ca 0.29 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1ib7 h VAL 61 Cb 0.22 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1ib7 h VAL 61 CO -0.20 0.00 -0.62 0.61 -1.23 0.00 0.00 177.57 176.13 1ib7 n GLY 62 N -0.08 -2.28 3.76 5.19 0.00 0.15 -4.94 105.19 106.99 1ib7 n GLY 62 Ca 0.01 0.91 -0.40 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.15 3.36 0.70 1.61 3.76 -1.23 -5.03 115.29 116.30 1ib7 s HIS 63 Ca 0.15 1.58 -0.06 0.00 -0.15 0.00 0.00 55.06 56.58 1ib7 s HIS 63 Cb -0.04 -3.45 0.06 0.00 1.11 0.00 0.00 32.58 30.26 1ib7 s HIS 63 CO 0.72 -1.08 1.00 -1.12 -0.85 0.00 0.00 174.74 173.40 1ib7 s SER 64 N -0.72 4.84 0.23 1.40 0.01 -1.26 -4.88 113.70 113.32 1ib7 s SER 64 Ca 0.46 0.44 -0.09 0.00 1.31 0.00 0.00 55.95 58.07 1ib7 s SER 64 Cb -0.35 -1.10 0.35 0.00 0.21 0.00 0.00 66.02 65.13 1ib7 s SER 64 CO 0.46 -1.57 1.65 0.74 0.41 0.00 0.00 173.24 174.93 1ib7 h THR 65 N -0.56 0.43 -1.17 1.44 2.02 -1.99 0.40 112.91 113.48 1ib7 h THR 65 Ca -0.44 -0.04 0.44 0.00 0.77 0.00 0.00 66.41 67.14 1ib7 h THR 65 Cb 1.31 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 67.87 1ib7 h THR 65 CO 0.60 0.02 0.69 0.44 0.37 0.00 0.00 175.52 177.64 1ib7 h ASP 66 N 0.11 0.27 -0.04 4.18 5.19 -2.00 1.73 116.42 125.86 1ib7 h ASP 66 Ca 0.36 0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.90 1ib7 h ASP 66 Cb 0.60 0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.34 1ib7 h ASP 66 CO -0.59 -0.36 -0.32 0.00 -3.12 0.00 0.00 179.24 174.85 1ib7 h ALA 67 N 1.83 0.09 -1.11 3.45 0.00 -0.56 -2.84 119.26 120.12 1ib7 h ALA 67 Ca 0.86 -0.46 0.32 0.00 0.00 0.00 0.00 54.91 55.64 1ib7 h ALA 67 Cb 2.50 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 20.18 1ib7 h ALA 67 CO -0.64 0.16 0.70 0.00 0.00 0.00 0.00 179.25 179.47 1ib7 h ARG 68 N -0.26 0.29 0.19 0.00 3.08 0.30 0.97 114.38 118.95 1ib7 h ARG 68 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ib7 h ARG 68 Cb 1.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1ib7 h ARG 68 CO 0.06 0.20 -0.09 1.49 -1.07 0.00 0.00 179.97 180.56 1ib7 h GLU 69 N 0.30 -0.25 0.58 0.04 4.81 -1.10 -2.52 114.58 116.45 1ib7 h GLU 69 Ca 0.69 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.91 1ib7 h GLU 69 Cb 1.82 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1ib7 h GLU 69 CO -0.39 0.16 -0.38 -0.07 -0.73 0.00 0.00 179.01 177.60 1ib7 h LEU 70 N -0.84 -0.96 -0.97 1.64 4.07 -0.65 0.28 115.31 117.88 1ib7 h LEU 70 Ca -0.03 0.06 0.13 0.00 0.08 0.00 0.00 57.88 58.12 1ib7 h LEU 70 Cb 0.52 0.28 -0.15 0.00 1.08 0.00 0.00 40.66 42.40 1ib7 h LEU 70 CO 0.04 -0.57 -0.42 -1.54 -1.08 0.00 0.00 178.44 174.88 1ib7 n SER 71 N -4.74 -0.72 -0.15 -0.43 3.41 0.31 0.27 113.62 111.57 1ib7 n SER 71 Ca -0.11 1.69 0.03 0.00 -0.26 0.00 0.00 58.87 60.22 1ib7 n SER 71 Cb 0.38 -0.35 0.32 0.00 -0.26 0.00 0.00 64.21 64.30 1ib7 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ib7 h LYS 72 N 0.00 0.81 0.00 4.33 1.79 -1.23 -0.14 116.57 122.13 1ib7 h LYS 72 Ca 0.29 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.58 1ib7 h LYS 72 Cb 0.54 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1ib7 h LYS 72 CO -0.95 0.54 -0.64 1.15 -1.08 0.00 0.00 179.45 178.48 1ib7 h THR 73 N 0.84 1.44 -1.00 -0.16 2.02 0.75 -3.06 112.91 113.74 1ib7 h THR 73 Ca 0.25 -2.19 -0.64 0.00 0.77 0.00 0.00 66.41 64.60 1ib7 h THR 73 Cb -0.02 2.19 -0.29 0.00 -1.74 0.00 0.00 68.15 68.29 1ib7 h THR 73 CO -0.06 0.62 0.82 -1.22 0.37 0.00 0.00 175.52 176.05 1ib7 n TYR 74 N -3.75 3.20 -4.44 3.16 4.02 0.72 -4.94 117.16 115.13 1ib7 n TYR 74 Ca -0.01 -2.78 -0.35 0.00 -0.01 0.00 0.00 57.90 54.76 1ib7 n TYR 74 Cb 0.64 -1.34 -0.10 0.00 -0.02 0.00 0.00 39.34 38.52 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 -4.50 4.15 0.00 -0.72 1.10 -0.86 -2.25 121.20 118.12 1ib7 s ILE 75 Ca 0.63 -0.31 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 1ib7 s ILE 75 Cb 0.50 -2.74 0.00 0.00 0.15 0.00 0.00 42.46 40.38 1ib7 s ILE 75 CO 0.02 0.60 0.00 2.30 -2.11 0.00 0.00 174.94 175.75 1ib7 n ILE 76 N 2.18 0.00 -3.47 2.00 -0.00 -1.26 -4.99 119.36 113.82 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 -0.62 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 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 2.67 -1.13 3.68 3.28 0.00 -1.26 -4.59 105.19 107.83 1ib7 n GLY 77 Ca 0.00 -0.97 -0.26 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 -0.95 2.08 0.05 1.61 -1.05 0.17 -2.27 118.70 118.34 1ib7 s GLU 78 Ca 0.00 -1.99 0.00 0.00 -0.15 0.00 0.00 54.97 52.83 1ib7 s GLU 78 Cb 0.00 -1.80 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1ib7 s GLU 78 CO 0.00 -0.08 0.17 -0.48 0.95 0.00 0.00 175.26 175.81 1ib7 s LEU 79 N -3.80 4.20 -0.40 1.83 -0.00 -1.26 -0.35 118.68 118.90 1ib7 s LEU 79 Ca 0.38 0.21 -0.43 0.00 -0.00 0.00 0.00 54.13 54.29 1ib7 s LEU 79 Cb 0.07 -2.74 -0.17 0.00 -0.00 0.00 0.00 46.19 43.35 1ib7 s LEU 79 CO 0.20 0.19 1.80 1.57 -0.00 0.00 0.00 176.35 180.12 1ib7 n HIS 80 N 0.51 1.77 0.91 3.48 -0.00 0.62 -4.70 115.22 117.82 1ib7 n HIS 80 Ca -0.07 0.76 0.11 0.00 -0.00 0.00 0.00 57.72 58.52 1ib7 n HIS 80 Cb 0.52 -2.36 0.52 0.00 -0.00 0.00 0.00 29.99 28.66 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 5.52 0.16 0.14 1.57 -0.04 -1.26 -2.76 135.00 138.33 1ib7 n PRO 81 Ca 0.34 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.66 1ib7 n PRO 81 Cb 0.04 -1.50 -0.16 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 0.78 -0.93 3.54 3.58 -1.98 -3.24 116.42 118.18 1ib7 h ASP 82 Ca 0.00 -0.85 -0.43 0.00 0.42 0.00 0.00 57.03 56.17 1ib7 h ASP 82 Cb 0.29 -0.26 -0.26 0.00 1.72 0.00 0.00 39.33 40.83 1ib7 h ASP 82 CO 0.00 1.67 0.55 0.47 -2.88 0.00 0.00 179.24 179.04 1ib7 n ASP 83 N -3.69 4.08 0.00 2.28 8.00 -1.11 -4.41 116.55 121.70 1ib7 n ASP 83 Ca -0.16 -3.50 0.09 0.00 0.71 0.00 0.00 54.79 51.93 1ib7 n ASP 83 Cb 1.10 -0.81 0.50 0.00 -0.02 0.00 0.00 41.12 41.88 1ib7 n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ib7 n ARG 84 N -0.86 0.41 -1.44 -1.24 1.85 -1.15 -3.35 116.66 110.89 1ib7 n ARG 84 Ca 0.55 0.06 -0.28 0.00 -1.00 0.00 0.00 57.85 57.17 1ib7 n ARG 84 Cb 1.60 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 31.50 1ib7 n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ib7 n SER 85 N -1.14 6.80 -1.40 2.89 7.64 -1.26 -4.50 113.62 122.65 1ib7 n SER 85 Ca 0.11 -3.36 -0.03 0.00 1.01 0.00 0.00 58.87 56.61 1ib7 n SER 85 Cb 0.10 -1.14 0.17 0.00 -1.01 0.00 0.00 64.21 62.33 1ib7 n SER 85 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ib7 n LYS 86 N 0.32 2.54 0.15 1.43 -0.00 -1.21 -3.91 118.16 117.47 1ib7 n LYS 86 Ca 0.48 -1.64 0.03 0.00 -0.00 0.00 0.00 58.31 57.17 1ib7 n LYS 86 Cb 0.51 -1.80 0.06 0.00 -0.00 0.00 0.00 35.03 33.80 1ib7 n LYS 86 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1ib7 h ILE 87 N 1.51 0.87 0.00 0.58 6.09 -1.92 -3.50 117.51 121.14 1ib7 h ILE 87 Ca 0.13 -2.14 0.00 0.00 -1.37 0.00 0.00 64.86 61.48 1ib7 h ILE 87 Cb 1.56 2.37 0.00 0.00 0.47 0.00 0.00 36.82 41.22 1ib7 h ILE 87 CO 0.39 0.48 0.00 0.00 -3.07 0.00 0.00 178.15 175.95