#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 3.21 -0.45 1.45 -0.14 -1.26 -5.01 119.74 117.53 1ib7 s LYS 5 Ca 0.00 -0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 53.72 1ib7 s LYS 5 Cb 0.00 -2.67 0.07 0.00 -1.68 0.00 0.00 37.83 33.55 1ib7 s LYS 5 CO 0.00 -0.04 0.36 0.71 -0.76 0.00 0.00 175.35 175.62 1ib7 s TYR 6 N 0.96 3.26 0.11 3.18 2.02 -1.23 -0.92 117.35 124.72 1ib7 s TYR 6 Ca -0.02 -0.96 -0.06 0.00 -0.37 0.00 0.00 57.07 55.65 1ib7 s TYR 6 Cb -0.15 -3.05 -0.05 0.00 -0.40 0.00 0.00 41.96 38.31 1ib7 s TYR 6 CO -0.02 -0.77 0.36 0.71 -1.57 0.00 0.00 175.55 174.26 1ib7 s TYR 7 N 1.62 3.52 0.41 2.71 2.02 0.41 -4.67 117.35 123.37 1ib7 s TYR 7 Ca 0.04 0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 57.13 1ib7 s TYR 7 Cb -0.23 -2.04 -0.10 0.00 -0.40 0.00 0.00 41.96 39.19 1ib7 s TYR 7 CO 0.06 0.48 0.99 0.95 -1.57 0.00 0.00 175.55 176.47 1ib7 s THR 8 N -1.54 4.08 0.64 -0.71 -4.23 -1.26 0.17 115.64 112.79 1ib7 s THR 8 Ca 0.37 1.44 0.27 0.00 -1.18 0.00 0.00 61.69 62.59 1ib7 s THR 8 Cb -0.13 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.32 1ib7 s THR 8 CO 0.22 -0.14 1.83 0.17 -0.54 0.00 0.00 174.62 176.16 1ib7 h LEU 9 N 2.22 0.00 -1.16 4.79 -0.00 -1.93 0.66 115.31 119.89 1ib7 h LEU 9 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.34 1ib7 h LEU 9 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.84 1ib7 h LEU 9 CO 0.62 0.00 -0.04 -0.33 -0.00 0.00 0.00 178.44 178.69 1ib7 h GLU 10 N 0.00 0.53 0.00 0.17 3.07 -1.99 -2.85 114.58 113.51 1ib7 h GLU 10 Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1ib7 h GLU 10 Cb 0.76 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1ib7 h GLU 10 CO 0.00 0.59 0.00 0.39 -1.40 0.00 0.00 179.01 178.59 1ib7 n GLU 11 N -4.25 0.00 -0.28 2.33 4.71 0.23 -0.99 120.64 122.39 1ib7 n GLU 11 Ca 0.01 0.39 0.24 0.00 -0.01 0.00 0.00 57.16 57.79 1ib7 n GLU 11 Cb 0.27 -1.38 0.44 0.00 -1.01 0.00 0.00 31.44 29.76 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 -1.66 -0.36 0.00 -3.67 -0.00 -1.23 0.19 119.36 112.63 1ib7 n ILE 12 Ca 0.00 1.76 0.00 0.00 -0.00 0.00 0.00 62.75 64.51 1ib7 n ILE 12 Cb 0.00 -2.80 0.00 0.00 -0.00 0.00 0.00 39.64 36.84 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 -5.00 0.00 0.26 6.28 1.13 -1.07 -2.43 117.38 116.55 1ib7 n GLN 13 Ca 0.29 0.18 0.15 0.00 -1.94 0.00 0.00 57.00 55.69 1ib7 n GLN 13 Cb 1.00 -1.18 0.69 0.00 0.11 0.00 0.00 30.24 30.86 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 -1.54 -1.09 5.09 0.60 0.30 116.57 119.93 1ib7 h LYS 14 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 60.65 60.09 1ib7 h LYS 14 Cb 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 32.23 32.08 1ib7 h LYS 14 CO 0.00 0.00 0.83 0.72 -2.09 0.00 0.00 179.45 178.91 1ib7 n HIS 15 N -3.03 2.74 -1.54 0.07 8.25 0.50 -4.45 115.22 117.76 1ib7 n HIS 15 Ca 0.01 -2.52 -0.19 0.00 -0.26 0.00 0.00 57.72 54.77 1ib7 n HIS 15 Cb 0.55 -1.29 0.13 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.41 2.51 -4.39 -0.41 4.81 0.10 -2.32 118.16 118.05 1ib7 n LYS 16 Ca 0.54 -3.43 -0.19 0.00 -0.87 0.00 0.00 58.31 54.36 1ib7 n LYS 16 Cb 0.48 -2.08 -0.10 0.00 0.02 0.00 0.00 35.03 33.35 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 -2.48 2.05 0.19 3.14 1.11 -1.17 -4.92 116.67 114.59 1ib7 s ASP 17 Ca 0.52 -1.33 -0.12 0.00 0.18 0.00 0.00 52.55 51.81 1ib7 s ASP 17 Cb 0.44 -0.02 0.19 0.00 1.07 0.00 0.00 42.92 44.60 1ib7 s ASP 17 CO 0.02 -0.59 1.77 -1.28 1.18 0.00 0.00 175.17 176.26 1ib7 h SER 18 N 2.26 0.29 -0.69 0.27 0.87 -1.97 -1.65 113.55 112.93 1ib7 h SER 18 Ca -0.40 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.34 1ib7 h SER 18 Cb 1.24 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 63.08 1ib7 h SER 18 CO 0.67 0.19 -0.26 0.50 -0.53 0.00 0.00 176.83 177.40 1ib7 h LYS 19 N 0.44 -0.07 -2.92 2.24 1.63 -1.96 -3.32 116.57 112.61 1ib7 h LYS 19 Ca 0.25 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.49 1ib7 h LYS 19 Cb 0.23 0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 31.48 1ib7 h LYS 19 CO -0.22 -0.04 -0.79 -1.12 -3.45 0.00 0.00 179.45 173.83 1ib7 s SER 20 N -5.22 3.50 -0.37 4.20 0.01 -0.70 -4.95 113.70 110.17 1ib7 s SER 20 Ca -0.14 -1.76 -0.13 0.00 1.31 0.00 0.00 55.95 55.22 1ib7 s SER 20 Cb 0.19 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.87 1ib7 s SER 20 CO 0.72 -0.38 0.26 -0.89 0.41 0.00 0.00 173.24 173.36 1ib7 s THR 21 N 1.51 5.16 0.29 1.44 2.01 -0.71 -3.04 115.64 122.30 1ib7 s THR 21 Ca 0.13 -0.48 0.11 0.00 0.31 0.00 0.00 61.69 61.76 1ib7 s THR 21 Cb -0.19 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1ib7 s THR 21 CO -0.20 -0.15 -0.11 0.26 -0.69 0.00 0.00 174.62 173.73 1ib7 s TRP 22 N 1.68 2.44 -0.27 4.92 0.52 -0.98 -2.51 118.94 124.74 1ib7 s TRP 22 Ca 0.05 -0.33 -0.11 0.00 0.02 0.00 0.00 56.10 55.73 1ib7 s TRP 22 Cb -0.18 -1.14 0.10 0.00 -1.15 0.00 0.00 33.47 31.10 1ib7 s TRP 22 CO 0.10 0.65 0.61 0.54 0.02 0.00 0.00 176.95 178.87 1ib7 s VAL 23 N -2.47 -0.58 -0.27 4.03 0.11 -1.17 -0.97 120.40 119.08 1ib7 s VAL 23 Ca 0.31 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.11 1ib7 s VAL 23 Cb -0.04 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1ib7 s VAL 23 CO 0.17 0.01 1.62 -0.63 -3.33 0.00 0.00 175.10 172.94 1ib7 s ILE 24 N 2.37 3.69 -0.20 7.04 1.01 -1.20 -0.46 121.20 133.46 1ib7 s ILE 24 Ca -0.07 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.35 1ib7 s ILE 24 Cb -0.10 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.64 1ib7 s ILE 24 CO -0.18 -0.38 -0.13 -0.76 0.00 0.00 0.00 174.94 173.49 1ib7 s LEU 25 N 5.56 2.32 -1.29 2.97 1.02 0.25 -3.24 118.68 126.26 1ib7 s LEU 25 Ca 0.71 -0.86 -0.25 0.00 0.02 0.00 0.00 54.13 53.76 1ib7 s LEU 25 Cb -0.23 -1.31 0.03 0.00 0.02 0.00 0.00 46.19 44.71 1ib7 s LEU 25 CO 0.30 -0.11 0.54 1.41 0.02 0.00 0.00 176.35 178.51 1ib7 n HIS 26 N 4.65 -1.41 -3.58 0.29 8.25 -1.26 -0.16 115.22 122.01 1ib7 n HIS 26 Ca -0.16 0.23 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1ib7 n HIS 26 Cb 0.47 -2.87 0.05 0.00 1.12 0.00 0.00 29.99 28.76 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 -4.88 -2.04 -3.22 4.41 8.25 -1.26 -4.98 115.22 111.50 1ib7 n HIS 27 Ca -0.16 0.81 0.04 0.00 -0.26 0.00 0.00 57.72 58.14 1ib7 n HIS 27 Cb 0.60 -4.34 -0.02 0.00 1.12 0.00 0.00 29.99 27.35 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 -5.62 0.28 0.29 -0.41 2.20 0.78 -4.72 119.74 112.55 1ib7 s LYS 28 Ca 0.14 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 56.01 1ib7 s LYS 28 Cb -0.03 0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.51 1ib7 s LYS 28 CO 0.79 -0.25 1.18 0.14 -0.36 0.00 0.00 175.35 176.86 1ib7 s VAL 29 N 2.80 3.20 -0.29 4.02 -7.23 -0.88 0.84 120.40 122.86 1ib7 s VAL 29 Ca 0.03 1.19 -0.00 0.00 -1.81 0.00 0.00 61.98 61.38 1ib7 s VAL 29 Cb -0.10 -3.76 0.05 0.00 0.56 0.00 0.00 36.38 33.13 1ib7 s VAL 29 CO -0.14 0.28 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.58 1ib7 s TYR 30 N -1.09 3.27 -1.36 2.82 1.51 0.40 -4.27 117.35 118.62 1ib7 s TYR 30 Ca 0.47 -2.00 -0.16 0.00 -1.01 0.00 0.00 57.07 54.36 1ib7 s TYR 30 Cb -0.35 -2.06 0.06 0.00 -0.11 0.00 0.00 41.96 39.50 1ib7 s TYR 30 CO 0.45 -0.83 1.93 -3.47 -1.11 0.00 0.00 175.55 172.53 1ib7 n ASP 31 N 4.57 4.52 -1.90 2.29 -0.08 -0.91 -3.06 116.55 121.98 1ib7 n ASP 31 Ca -0.13 -2.89 -0.18 0.00 -1.51 0.00 0.00 54.79 50.08 1ib7 n ASP 31 Cb 0.43 -1.71 0.06 0.00 2.34 0.00 0.00 41.12 42.23 1ib7 n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ib7 n LEU 32 N 7.47 6.31 0.10 -2.67 -0.00 -1.05 -4.52 117.00 122.66 1ib7 n LEU 32 Ca 0.50 -3.28 -0.12 0.00 -0.00 0.00 0.00 56.01 53.11 1ib7 n LEU 32 Cb 0.43 -0.97 -0.06 0.00 -0.00 0.00 0.00 43.42 42.82 1ib7 n LEU 32 CO 0.82 1.16 0.76 0.74 -0.00 0.00 0.00 177.39 180.88 1ib7 h THR 33 N 0.90 0.64 -0.25 1.47 2.02 -1.85 1.61 112.91 117.46 1ib7 h THR 33 Ca 0.34 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.39 1ib7 h THR 33 Cb 1.14 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1ib7 h THR 33 CO 0.82 0.00 -0.39 0.11 0.37 0.00 0.00 175.52 176.43 1ib7 h LYS 34 N -0.32 0.58 -0.62 6.66 6.56 -1.90 -2.38 116.57 125.14 1ib7 h LYS 34 Ca 0.02 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 1ib7 h LYS 34 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1ib7 h LYS 34 CO -0.07 0.88 0.00 0.98 -2.06 0.00 0.00 179.45 179.17 1ib7 n TYR 35 N -4.04 0.83 -0.03 -1.35 9.36 -0.91 -4.00 117.16 117.03 1ib7 n TYR 35 Ca -0.02 -0.32 -0.15 0.00 3.32 0.00 0.00 57.90 60.74 1ib7 n TYR 35 Cb 0.51 -0.19 -0.11 0.00 -0.63 0.00 0.00 39.34 38.92 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 2.08 0.19 -0.29 2.98 7.12 0.29 -2.31 115.31 125.37 1ib7 h LEU 36 Ca 0.00 -0.74 0.00 0.00 0.13 0.00 0.00 57.88 57.27 1ib7 h LEU 36 Cb 0.95 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1ib7 h LEU 36 CO 0.15 0.90 -0.35 -1.84 -0.13 0.00 0.00 178.44 177.16 1ib7 n GLU 37 N -4.56 0.50 0.05 1.25 0.28 -1.26 -3.68 120.64 113.23 1ib7 n GLU 37 Ca -0.09 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 1ib7 n GLU 37 Cb 0.46 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.77 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 0.72 0.00 -6.29 3.44 4.81 -1.69 -3.47 114.58 112.11 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1ib7 h GLU 38 Cb 0.50 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.92 1ib7 h GLU 38 CO 0.00 0.36 0.70 1.58 -0.73 0.00 0.00 179.01 180.92 1ib7 n HIS 39 N -2.98 1.88 0.12 0.92 -0.00 -0.87 -4.85 115.22 109.45 1ib7 n HIS 39 Ca -0.07 0.47 -0.02 0.00 0.46 0.00 0.00 57.72 58.56 1ib7 n HIS 39 Cb 0.83 -2.44 0.10 0.00 -0.12 0.00 0.00 29.99 28.36 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 6.00 0.00 0.14 1.57 0.13 -1.91 -3.35 132.00 134.58 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 0.69 -0.07 0.78 -0.23 0.00 0.00 178.00 180.03 1ib7 h GLY 41 N 2.30 -0.19 -4.56 1.56 0.00 -1.99 -3.48 103.07 96.71 1ib7 h GLY 41 Ca -0.01 0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.57 1ib7 h GLY 41 CO 0.09 -0.07 0.76 -0.32 0.00 0.00 0.00 176.54 177.00 1ib7 s GLY 42 N -1.39 -0.11 0.20 4.60 0.00 -1.26 -5.02 107.32 104.34 1ib7 s GLY 42 Ca -0.03 2.32 0.23 0.00 0.00 0.00 0.00 44.72 47.24 1ib7 s GLY 42 CO 0.08 0.99 1.21 1.05 0.00 0.00 0.00 173.10 176.43 1ib7 h GLU 43 N 2.25 0.00 0.00 2.90 4.11 -1.82 -3.36 114.58 118.66 1ib7 h GLU 43 Ca -0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.22 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 0.26 0.00 -0.62 0.93 0.07 0.00 0.00 179.01 179.65 1ib7 h GLU 44 N 0.00 0.00 -1.83 1.06 4.39 -1.95 -2.85 114.58 113.40 1ib7 h GLU 44 Ca 0.00 0.00 0.53 0.00 0.34 0.00 0.00 59.36 60.23 1ib7 h GLU 44 Cb 0.90 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.48 1ib7 h GLU 44 CO 0.00 0.56 1.40 -0.24 -1.16 0.00 0.00 179.01 179.57 1ib7 h VAL 45 N -1.00 0.00 0.00 3.13 3.04 -1.96 2.10 116.25 121.55 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 0.82 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1ib7 h VAL 45 CO -0.08 0.00 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.27 1ib7 h LEU 46 N 0.00 0.00 0.20 3.16 3.38 -1.71 -3.33 115.31 117.00 1ib7 h LEU 46 Ca 0.87 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.85 1ib7 h LEU 46 Cb 3.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 44.38 1ib7 h LEU 46 CO -0.01 0.37 -0.32 0.03 0.09 0.00 0.00 178.44 178.60 1ib7 h ARG 47 N -0.60 -0.57 -0.75 1.13 3.08 -0.38 1.10 114.38 117.39 1ib7 h ARG 47 Ca 0.00 0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.34 1ib7 h ARG 47 Cb 0.14 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.18 1ib7 h ARG 47 CO 0.00 -0.38 0.17 -1.91 -1.07 0.00 0.00 179.97 176.78 1ib7 n GLU 48 N -5.42 -0.05 -2.54 0.04 2.13 0.68 0.30 120.64 115.76 1ib7 n GLU 48 Ca -0.08 1.09 -0.16 0.00 0.66 0.00 0.00 57.16 58.68 1ib7 n GLU 48 Cb 0.33 -1.82 0.02 0.00 0.27 0.00 0.00 31.44 30.24 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 -4.91 2.34 0.00 5.31 10.64 -0.69 -4.94 117.38 125.13 1ib7 n GLN 49 Ca 0.22 -3.85 0.00 0.00 -1.83 0.00 0.00 57.00 51.54 1ib7 n GLN 49 Cb 0.73 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 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 -0.35 0.00 -0.61 2.61 0.00 0.37 -3.89 120.51 118.64 1ib7 n ALA 50 Ca 0.24 0.00 0.48 0.00 0.00 0.00 0.00 53.44 54.15 1ib7 n ALA 50 Cb 0.77 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.98 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 1.71 -0.91 0.00 0.00 0.00 -0.14 -3.84 105.19 102.00 1ib7 n GLY 51 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -1.76 -3.54 2.87 -0.02 0.00 -1.25 -4.47 105.19 97.02 1ib7 n GLY 52 Ca 0.42 -0.85 -0.29 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 -2.01 3.18 -0.29 1.61 -4.77 -1.26 -3.23 116.67 109.91 1ib7 s ASP 53 Ca 0.00 -0.86 0.08 0.00 -3.30 0.00 0.00 52.55 48.47 1ib7 s ASP 53 Cb 0.00 -0.94 0.47 0.00 -1.09 0.00 0.00 42.92 41.37 1ib7 s ASP 53 CO 0.00 -0.23 1.38 0.00 0.70 0.00 0.00 175.17 177.03 1ib7 n ALA 54 N 4.84 4.38 0.29 2.11 0.00 -1.20 -4.77 120.51 126.16 1ib7 n ALA 54 Ca -0.11 -3.33 -0.11 0.00 0.00 0.00 0.00 53.44 49.89 1ib7 n ALA 54 Cb 0.46 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 1.20 0.00 -0.56 0.00 2.02 -1.93 0.17 112.91 113.80 1ib7 h THR 55 Ca 0.21 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 1ib7 h THR 55 Cb 1.42 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1ib7 h THR 55 CO 0.41 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 176.11 1ib7 h GLU 56 N -0.84 0.86 0.00 6.66 4.39 -1.92 0.21 114.58 123.94 1ib7 h GLU 56 Ca -0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1ib7 h GLU 56 Cb 0.57 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1ib7 h GLU 56 CO 0.13 0.77 -0.06 -0.91 -1.16 0.00 0.00 179.01 177.77 1ib7 h ASN 57 N 0.83 0.00 0.13 1.42 2.35 -1.86 1.75 115.58 120.21 1ib7 h ASN 57 Ca 0.18 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.57 1ib7 h ASN 57 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1ib7 h ASN 57 CO -0.00 0.06 -1.99 0.33 -1.65 0.00 0.00 177.43 174.18 1ib7 n PHE 58 N -3.36 1.30 0.10 1.19 -0.00 0.58 -3.67 117.46 113.60 1ib7 n PHE 58 Ca -0.01 0.27 -0.16 0.00 -0.00 0.00 0.00 57.45 57.55 1ib7 n PHE 58 Cb 0.22 -1.17 -0.12 0.00 -0.00 0.00 0.00 39.48 38.40 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 0.07 0.32 -0.59 -4.13 5.08 -0.26 -3.10 114.58 111.97 1ib7 h GLU 59 Ca -0.42 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 57.50 1ib7 h GLU 59 Cb 2.04 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 31.42 1ib7 h GLU 59 CO 0.09 1.21 0.31 0.22 -1.00 0.00 0.00 179.01 179.85 1ib7 h ASP 60 N 0.11 0.46 0.77 1.42 3.58 0.25 0.32 116.42 123.33 1ib7 h ASP 60 Ca -0.13 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ib7 h ASP 60 Cb 1.91 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.90 1ib7 h ASP 60 CO 0.20 0.31 0.00 -0.37 -2.88 0.00 0.00 179.24 176.50 1ib7 h VAL 61 N 0.60 0.00 -5.05 2.25 -1.51 -1.63 -3.48 116.25 107.43 1ib7 h VAL 61 Ca 0.26 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1ib7 h VAL 61 Cb 0.16 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1ib7 h VAL 61 CO -0.17 0.00 -0.64 0.61 -1.23 0.00 0.00 177.57 176.14 1ib7 n GLY 62 N -0.16 -2.40 3.76 5.19 0.00 0.11 -4.94 105.19 106.76 1ib7 n GLY 62 Ca 0.01 0.88 -0.40 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.11 3.32 0.81 1.61 3.76 -1.24 -5.02 115.29 116.41 1ib7 s HIS 63 Ca 0.14 1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 56.49 1ib7 s HIS 63 Cb -0.04 -3.48 0.08 0.00 1.11 0.00 0.00 32.58 30.25 1ib7 s HIS 63 CO 0.72 -1.19 1.18 -1.12 -0.85 0.00 0.00 174.74 173.47 1ib7 s SER 64 N -0.69 4.53 0.21 1.40 0.01 -1.26 -4.87 113.70 113.02 1ib7 s SER 64 Ca 0.47 0.78 -0.11 0.00 1.31 0.00 0.00 55.95 58.41 1ib7 s SER 64 Cb -0.36 -1.28 0.28 0.00 0.21 0.00 0.00 66.02 64.86 1ib7 s SER 64 CO 0.47 -1.89 1.69 0.74 0.41 0.00 0.00 173.24 174.66 1ib7 h THR 65 N -1.04 0.61 -0.99 1.44 2.02 -2.00 0.90 112.91 113.86 1ib7 h THR 65 Ca -0.46 -0.07 0.36 0.00 0.77 0.00 0.00 66.41 67.01 1ib7 h THR 65 Cb 1.33 0.38 -0.17 0.00 -1.74 0.00 0.00 68.15 67.95 1ib7 h THR 65 CO 0.66 0.04 0.39 0.44 0.37 0.00 0.00 175.52 177.42 1ib7 h ASP 66 N 0.21 0.12 -0.14 4.18 3.32 -2.01 1.38 116.42 123.47 1ib7 h ASP 66 Ca 0.30 0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 1ib7 h ASP 66 Cb 0.46 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1ib7 h ASP 66 CO -0.42 -0.36 -0.05 0.00 -1.72 0.00 0.00 179.24 176.69 1ib7 h ALA 67 N 1.96 0.19 -0.99 3.45 0.00 -1.18 -2.79 119.26 119.91 1ib7 h ALA 67 Ca 0.75 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.75 1ib7 h ALA 67 Cb 1.84 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.40 1ib7 h ALA 67 CO -0.78 -0.04 0.25 -2.13 0.00 0.00 0.00 179.25 176.55 1ib7 n ARG 68 N -4.69 -0.07 0.24 0.00 3.00 0.47 0.73 116.66 116.33 1ib7 n ARG 68 Ca -0.06 1.43 -0.12 0.00 -0.00 0.00 0.00 57.85 59.10 1ib7 n ARG 68 Cb 0.27 -2.40 -0.06 0.00 0.00 0.00 0.00 32.46 30.27 1ib7 n ARG 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ib7 h GLU 69 N 0.00 -0.63 -0.06 -0.14 5.08 -1.26 -2.35 114.58 115.22 1ib7 h GLU 69 Ca 0.71 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 59.13 1ib7 h GLU 69 Cb 1.68 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 1ib7 h GLU 69 CO -0.85 -0.35 -0.33 -0.07 -1.00 0.00 0.00 179.01 176.40 1ib7 h LEU 70 N -1.09 -1.04 -1.00 1.33 4.07 -0.38 1.06 115.31 118.26 1ib7 h LEU 70 Ca -0.07 0.12 0.16 0.00 0.08 0.00 0.00 57.88 58.17 1ib7 h LEU 70 Cb 0.57 0.40 -0.16 0.00 1.08 0.00 0.00 40.66 42.55 1ib7 h LEU 70 CO 0.11 -0.30 -0.38 -1.54 -1.08 0.00 0.00 178.44 175.24 1ib7 n SER 71 N -4.31 -0.63 -0.12 -0.43 3.41 0.22 0.25 113.62 112.01 1ib7 n SER 71 Ca -0.04 1.74 0.00 0.00 -0.26 0.00 0.00 58.87 60.31 1ib7 n SER 71 Cb 0.23 -0.40 0.27 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.79 -0.03 4.33 1.79 -0.71 -1.20 116.57 121.54 1ib7 h LYS 72 Ca 0.35 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1ib7 h LYS 72 Cb 0.60 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1ib7 h LYS 72 CO -0.99 0.61 -0.56 1.15 -1.08 0.00 0.00 179.45 178.58 1ib7 h THR 73 N 0.79 1.39 -1.00 -0.16 2.02 1.18 -3.00 112.91 114.13 1ib7 h THR 73 Ca 0.20 -1.92 -0.66 0.00 0.77 0.00 0.00 66.41 64.81 1ib7 h THR 73 Cb 0.08 2.00 -0.29 0.00 -1.74 0.00 0.00 68.15 68.20 1ib7 h THR 73 CO -0.03 0.56 0.84 -1.22 0.37 0.00 0.00 175.52 176.03 1ib7 n TYR 74 N -3.88 3.21 -4.43 3.16 4.02 0.69 -4.94 117.16 114.99 1ib7 n TYR 74 Ca -0.02 -2.86 -0.35 0.00 -0.01 0.00 0.00 57.90 54.67 1ib7 n TYR 74 Cb 0.58 -1.38 -0.10 0.00 -0.02 0.00 0.00 39.34 38.42 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 -4.61 4.17 0.00 -0.72 1.10 -0.94 -2.14 121.20 118.06 1ib7 s ILE 75 Ca 0.64 -0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 1ib7 s ILE 75 Cb 0.50 -2.74 0.00 0.00 0.15 0.00 0.00 42.46 40.37 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 2.20 0.00 -3.72 2.00 -0.00 -1.26 -4.98 119.36 113.59 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 -0.60 0.00 0.00 -0.00 0.00 0.00 39.64 39.57 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 2.59 -1.29 3.70 3.28 0.00 -1.26 -4.49 105.19 107.72 1ib7 n GLY 77 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.44 2.16 0.10 1.61 -1.05 -0.10 -2.08 118.70 117.90 1ib7 s GLU 78 Ca 0.00 -1.84 0.05 0.00 -0.15 0.00 0.00 54.97 53.03 1ib7 s GLU 78 Cb 0.00 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.72 1ib7 s GLU 78 CO 0.00 -0.04 0.01 -0.48 0.95 0.00 0.00 175.26 175.70 1ib7 s LEU 79 N -3.83 3.49 -0.46 1.83 -0.00 -1.26 -0.45 118.68 118.00 1ib7 s LEU 79 Ca 0.39 -0.18 -0.23 0.00 -0.00 0.00 0.00 54.13 54.10 1ib7 s LEU 79 Cb 0.03 -2.21 -0.13 0.00 -0.00 0.00 0.00 46.19 43.89 1ib7 s LEU 79 CO 0.21 0.17 1.49 1.57 -0.00 0.00 0.00 176.35 179.79 1ib7 n HIS 80 N 0.50 0.54 1.22 3.48 -0.00 0.45 -4.68 115.22 116.73 1ib7 n HIS 80 Ca -0.10 0.36 0.12 0.00 -0.00 0.00 0.00 57.72 58.09 1ib7 n HIS 80 Cb 0.52 -1.45 0.62 0.00 -0.00 0.00 0.00 29.99 29.69 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 4.95 0.47 0.12 1.57 -0.04 -1.26 -2.67 135.00 138.14 1ib7 n PRO 81 Ca 0.37 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.68 1ib7 n PRO 81 Cb -0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 0.60 -0.63 3.54 3.58 -2.00 -3.22 116.42 118.30 1ib7 h ASP 82 Ca 0.00 -0.65 -0.07 0.00 0.42 0.00 0.00 57.03 56.73 1ib7 h ASP 82 Cb 0.15 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1ib7 h ASP 82 CO 0.00 1.51 0.09 0.47 -2.88 0.00 0.00 179.24 178.43 1ib7 n ASP 83 N -3.61 5.48 -0.84 2.28 9.92 -1.09 -4.03 116.55 124.66 1ib7 n ASP 83 Ca -0.12 -3.03 0.11 0.00 -0.53 0.00 0.00 54.79 51.21 1ib7 n ASP 83 Cb 1.06 -0.71 0.09 0.00 -0.64 0.00 0.00 41.12 40.92 1ib7 n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1ib7 n ARG 84 N 0.37 1.95 0.00 -1.24 0.63 -1.18 -2.07 116.66 115.12 1ib7 n ARG 84 Ca 0.32 -1.75 0.00 0.00 -0.92 0.00 0.00 57.85 55.50 1ib7 n ARG 84 Cb 1.27 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1ib7 n ARG 84 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ib7 n SER 85 N 1.17 0.00 -0.09 6.15 7.64 -1.26 -4.87 113.62 122.37 1ib7 n SER 85 Ca 0.12 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 1ib7 n SER 85 Cb 0.53 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.57 1ib7 n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ib7 n LYS 86 N 0.00 0.72 0.08 1.43 4.76 -1.26 -4.10 118.16 119.79 1ib7 n LYS 86 Ca 0.00 -0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 1ib7 n LYS 86 Cb 0.00 -1.51 0.38 0.00 -1.84 0.00 0.00 35.03 32.05 1ib7 n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ib7 n ILE 87 N -2.70 1.14 0.00 -0.18 -0.00 -1.26 -5.08 119.36 111.28 1ib7 n ILE 87 Ca -0.30 0.40 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 1ib7 n ILE 87 Cb 1.10 -1.32 0.00 0.00 -0.00 0.00 0.00 39.64 39.42 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55