#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 -0.31 1.45 2.47 -1.26 -5.00 119.74 120.52 1ib7 s LYS 5 Ca 0.00 -0.60 -0.11 0.00 -1.56 0.00 0.00 55.97 53.70 1ib7 s LYS 5 Cb 0.00 -3.07 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 1ib7 s LYS 5 CO 0.00 -0.20 0.20 0.71 0.16 0.00 0.00 175.35 176.22 1ib7 s TYR 6 N 1.50 3.21 0.09 4.03 2.02 -1.24 0.50 117.35 127.46 1ib7 s TYR 6 Ca 0.06 -0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1ib7 s TYR 6 Cb -0.14 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 1ib7 s TYR 6 CO -0.02 -0.29 0.02 0.71 -1.57 0.00 0.00 175.55 174.40 1ib7 s TYR 7 N 1.72 3.04 0.28 2.71 2.02 0.14 -4.75 117.35 122.51 1ib7 s TYR 7 Ca 0.06 -0.00 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 1ib7 s TYR 7 Cb -0.17 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 1ib7 s TYR 7 CO 0.10 0.49 0.77 0.95 -1.57 0.00 0.00 175.55 176.29 1ib7 s THR 8 N -1.35 4.56 0.64 -0.71 -4.23 -1.26 0.22 115.64 113.51 1ib7 s THR 8 Ca 0.27 1.23 0.23 0.00 -1.18 0.00 0.00 61.69 62.24 1ib7 s THR 8 Cb -0.12 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.22 1ib7 s THR 8 CO 0.19 0.02 1.68 0.17 -0.54 0.00 0.00 174.62 176.14 1ib7 h LEU 9 N 2.85 0.00 -1.83 4.79 -0.00 -1.95 1.13 115.31 120.30 1ib7 h LEU 9 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.38 1ib7 h LEU 9 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1ib7 h LEU 9 CO 0.65 0.00 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.67 1ib7 h GLU 10 N 0.00 0.00 0.00 0.17 5.08 -2.00 -2.55 114.58 115.29 1ib7 h GLU 10 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ib7 h GLU 10 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ib7 h GLU 10 CO -0.00 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.49 1ib7 n GLU 11 N -4.38 0.00 -0.25 2.33 1.02 0.39 -1.93 120.64 117.81 1ib7 n GLU 11 Ca -0.03 0.25 0.21 0.00 -0.02 0.00 0.00 57.16 57.57 1ib7 n GLU 11 Cb 0.17 -1.06 0.40 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.24 -0.32 0.00 -3.67 -0.00 -1.22 0.13 119.36 113.03 1ib7 n ILE 12 Ca 0.00 1.58 0.00 0.00 -0.00 0.00 0.00 62.75 64.33 1ib7 n ILE 12 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 39.64 37.14 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 -4.81 0.00 0.10 6.28 6.02 -0.96 -2.24 117.38 121.77 1ib7 n GLN 13 Ca 0.26 0.19 0.20 0.00 -0.01 0.00 0.00 57.00 57.64 1ib7 n GLN 13 Cb 0.89 -1.12 0.68 0.00 1.02 0.00 0.00 30.24 31.71 1ib7 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1ib7 h LYS 14 N 0.00 0.00 -1.61 -1.09 2.10 -0.32 0.33 116.57 115.98 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 -0.21 0.00 -0.90 0.00 0.00 32.23 31.12 1ib7 h LYS 14 CO 0.00 0.00 0.64 0.72 -2.00 0.00 0.00 179.45 178.81 1ib7 n HIS 15 N -3.42 2.22 -1.09 0.07 8.25 0.34 -4.26 115.22 117.32 1ib7 n HIS 15 Ca 0.08 -2.28 0.04 0.00 -0.26 0.00 0.00 57.72 55.30 1ib7 n HIS 15 Cb 0.74 -1.24 0.25 0.00 1.12 0.00 0.00 29.99 30.87 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 0.03 2.80 -4.49 -0.41 4.81 0.12 -1.76 118.16 119.26 1ib7 n LYS 16 Ca 0.48 -2.94 -0.27 0.00 -0.87 0.00 0.00 58.31 54.70 1ib7 n LYS 16 Cb 0.53 -1.89 -0.10 0.00 0.02 0.00 0.00 35.03 33.59 1ib7 n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ib7 s ASP 17 N -1.95 4.01 0.20 3.14 -1.08 -1.18 -4.85 116.67 114.95 1ib7 s ASP 17 Ca 0.44 -1.27 -0.11 0.00 -0.52 0.00 0.00 52.55 51.09 1ib7 s ASP 17 Cb 0.37 -0.42 0.20 0.00 -1.46 0.00 0.00 42.92 41.61 1ib7 s ASP 17 CO 0.08 -0.44 1.79 -1.28 0.52 0.00 0.00 175.17 175.83 1ib7 h SER 18 N 1.71 0.43 -0.67 -0.34 0.87 -1.97 -1.80 113.55 111.79 1ib7 h SER 18 Ca -0.44 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1ib7 h SER 18 Cb 1.24 -0.05 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 1ib7 h SER 18 CO 0.77 0.29 -0.25 0.50 -0.53 0.00 0.00 176.83 177.60 1ib7 h LYS 19 N 0.57 -0.07 -3.05 2.24 3.64 -1.96 -3.32 116.57 114.62 1ib7 h LYS 19 Ca 0.27 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 59.08 1ib7 h LYS 19 Cb 0.19 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.63 1ib7 h LYS 19 CO -0.19 -0.05 -0.78 -1.12 -2.27 0.00 0.00 179.45 175.05 1ib7 s SER 20 N -5.21 3.62 -0.42 4.20 0.01 -0.74 -4.95 113.70 110.22 1ib7 s SER 20 Ca -0.14 -1.81 -0.16 0.00 1.31 0.00 0.00 55.95 55.14 1ib7 s SER 20 Cb 0.19 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.78 1ib7 s SER 20 CO 0.72 -0.38 0.37 -0.89 0.41 0.00 0.00 173.24 173.47 1ib7 s THR 21 N 1.44 5.18 0.23 1.44 2.01 -0.83 -3.06 115.64 122.04 1ib7 s THR 21 Ca 0.13 -0.52 0.11 0.00 0.31 0.00 0.00 61.69 61.71 1ib7 s THR 21 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1ib7 s THR 21 CO -0.19 -0.37 -0.17 0.26 -0.69 0.00 0.00 174.62 173.46 1ib7 s TRP 22 N 1.90 2.40 -0.24 4.92 0.52 -0.72 -2.51 118.94 125.20 1ib7 s TRP 22 Ca 0.08 -0.31 -0.11 0.00 0.02 0.00 0.00 56.10 55.79 1ib7 s TRP 22 Cb -0.18 -1.12 0.09 0.00 -1.15 0.00 0.00 33.47 31.11 1ib7 s TRP 22 CO 0.12 0.60 0.55 0.54 0.02 0.00 0.00 176.95 178.77 1ib7 s VAL 23 N -2.06 -0.40 -0.17 4.03 0.11 -1.25 -0.57 120.40 120.10 1ib7 s VAL 23 Ca 0.26 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.08 1ib7 s VAL 23 Cb -0.07 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1ib7 s VAL 23 CO 0.14 0.03 1.66 -0.63 -3.33 0.00 0.00 175.10 172.96 1ib7 s ILE 24 N 2.11 3.63 -0.02 7.04 1.01 -1.24 -0.77 121.20 132.96 1ib7 s ILE 24 Ca -0.07 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1ib7 s ILE 24 Cb -0.09 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1ib7 s ILE 24 CO -0.16 -0.20 -0.13 -0.76 0.00 0.00 0.00 174.94 173.69 1ib7 s LEU 25 N 4.97 1.90 -1.05 2.97 1.02 0.35 -2.97 118.68 125.88 1ib7 s LEU 25 Ca 0.73 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 54.50 1ib7 s LEU 25 Cb -0.28 -0.70 0.13 0.00 0.02 0.00 0.00 46.19 45.36 1ib7 s LEU 25 CO 0.29 0.12 0.33 1.41 0.02 0.00 0.00 176.35 178.53 1ib7 n HIS 26 N 3.06 -1.30 -2.78 0.29 8.25 -1.26 0.29 115.22 121.78 1ib7 n HIS 26 Ca -0.17 0.38 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1ib7 n HIS 26 Cb 0.54 -1.36 0.04 0.00 1.12 0.00 0.00 29.99 30.34 1ib7 n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ib7 n HIS 27 N -3.11 -1.16 -3.57 4.41 -0.00 -1.26 -5.03 115.22 105.49 1ib7 n HIS 27 Ca 0.07 0.48 -0.01 0.00 0.46 0.00 0.00 57.72 58.71 1ib7 n HIS 27 Cb 0.41 -3.45 -0.06 0.00 -0.12 0.00 0.00 29.99 26.77 1ib7 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1ib7 s LYS 28 N -4.86 0.33 0.49 1.57 -2.85 0.84 -4.49 119.74 110.77 1ib7 s LYS 28 Ca 0.05 0.64 -0.22 0.00 -1.00 0.00 0.00 55.97 55.44 1ib7 s LYS 28 Cb -0.02 0.17 -0.07 0.00 -2.06 0.00 0.00 37.83 35.85 1ib7 s LYS 28 CO 0.36 -0.08 1.21 0.14 0.10 0.00 0.00 175.35 177.08 1ib7 s VAL 29 N 1.63 2.85 -0.40 1.79 -7.23 -1.11 0.13 120.40 118.07 1ib7 s VAL 29 Ca -0.07 0.63 0.04 0.00 -1.81 0.00 0.00 61.98 60.77 1ib7 s VAL 29 Cb -0.04 -3.31 0.11 0.00 0.56 0.00 0.00 36.38 33.69 1ib7 s VAL 29 CO -0.15 -0.02 0.12 -0.31 -0.31 0.00 0.00 175.10 174.43 1ib7 s TYR 30 N -1.50 3.54 -1.05 2.82 1.51 0.05 -4.39 117.35 118.33 1ib7 s TYR 30 Ca 0.66 -3.04 -0.25 0.00 -1.01 0.00 0.00 57.07 53.43 1ib7 s TYR 30 Cb -0.31 -2.87 -0.18 0.00 -0.11 0.00 0.00 41.96 38.49 1ib7 s TYR 30 CO 0.37 -0.88 2.00 -3.47 -1.11 0.00 0.00 175.55 172.46 1ib7 n ASP 31 N 3.90 2.12 -2.39 2.29 2.03 -0.80 -3.85 116.55 119.85 1ib7 n ASP 31 Ca 0.04 -2.59 -0.35 0.00 0.52 0.00 0.00 54.79 52.42 1ib7 n ASP 31 Cb 0.39 -1.63 0.07 0.00 -0.72 0.00 0.00 41.12 39.22 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 16.35 7.36 -0.06 -2.67 -0.00 -1.05 -4.61 117.00 132.32 1ib7 n LEU 32 Ca 0.43 -4.43 -0.11 0.00 -0.00 0.00 0.00 56.01 51.90 1ib7 n LEU 32 Cb 0.46 -0.92 -0.05 0.00 -0.00 0.00 0.00 43.42 42.91 1ib7 n LEU 32 CO 0.69 1.59 0.76 0.74 -0.00 0.00 0.00 177.39 181.17 1ib7 h THR 33 N 1.29 1.25 -0.35 1.47 2.02 -1.82 0.24 112.91 117.01 1ib7 h THR 33 Ca 0.57 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1ib7 h THR 33 Cb 0.77 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1ib7 h THR 33 CO 1.48 0.26 -0.14 0.11 0.37 0.00 0.00 175.52 177.60 1ib7 h LYS 34 N 0.11 0.71 -0.89 6.66 6.56 -1.91 -2.64 116.57 125.16 1ib7 h LYS 34 Ca 0.06 -0.30 -0.13 0.00 -1.06 0.00 0.00 60.65 59.22 1ib7 h LYS 34 Cb 0.38 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 31.94 1ib7 h LYS 34 CO 0.01 0.89 0.16 0.98 -2.06 0.00 0.00 179.45 179.43 1ib7 n TYR 35 N -4.35 1.29 -0.02 -1.35 9.36 -1.17 -4.12 117.16 116.79 1ib7 n TYR 35 Ca -0.02 -0.76 -0.16 0.00 3.32 0.00 0.00 57.90 60.29 1ib7 n TYR 35 Cb 0.38 -0.45 -0.12 0.00 -0.63 0.00 0.00 39.34 38.52 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 1.52 0.23 0.00 2.98 7.12 -0.14 -2.78 115.31 124.25 1ib7 h LEU 36 Ca 0.15 -0.82 0.00 0.00 0.13 0.00 0.00 57.88 57.35 1ib7 h LEU 36 Cb 1.58 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1ib7 h LEU 36 CO 0.40 1.02 -0.59 -0.62 -0.13 0.00 0.00 178.44 178.52 1ib7 n GLU 37 N -4.47 0.10 0.16 1.25 1.02 -1.26 -3.66 120.64 113.78 1ib7 n GLU 37 Ca -0.10 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1ib7 n GLU 37 Cb 0.54 -1.55 0.08 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.00 0.00 -6.28 3.49 4.57 -1.73 -3.46 114.58 111.17 1ib7 h GLU 38 Ca 0.00 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.51 1ib7 h GLU 38 Cb 0.58 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1ib7 h GLU 38 CO 0.00 0.20 0.68 1.58 -1.18 0.00 0.00 179.01 180.30 1ib7 n HIS 39 N -3.07 1.85 0.12 0.92 -0.00 -1.05 -4.85 115.22 109.13 1ib7 n HIS 39 Ca 0.02 0.49 -0.03 0.00 0.46 0.00 0.00 57.72 58.66 1ib7 n HIS 39 Cb 0.63 -2.43 0.08 0.00 -0.12 0.00 0.00 29.99 28.16 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 5.89 0.00 0.21 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 0.72 -0.10 0.78 -0.23 0.00 0.00 178.00 180.03 1ib7 h GLY 41 N 2.28 -0.29 -5.29 1.56 0.00 -1.99 -3.48 103.07 95.86 1ib7 h GLY 41 Ca -0.01 0.11 0.15 0.00 0.00 0.00 0.00 47.33 47.58 1ib7 h GLY 41 CO 0.09 -0.11 0.72 -0.32 0.00 0.00 0.00 176.54 176.93 1ib7 s GLY 42 N -1.66 0.05 0.04 4.60 0.00 -1.26 -5.01 107.32 104.08 1ib7 s GLY 42 Ca -0.04 2.87 0.27 0.00 0.00 0.00 0.00 44.72 47.82 1ib7 s GLY 42 CO 0.12 1.55 1.66 -1.84 0.00 0.00 0.00 173.10 174.59 1ib7 n GLU 43 N 1.34 0.07 -0.10 2.90 0.28 -1.26 -3.97 120.64 119.89 1ib7 n GLU 43 Ca -0.09 0.03 -0.18 0.00 -0.16 0.00 0.00 57.16 56.77 1ib7 n GLU 43 Cb 0.57 -1.56 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 1ib7 n GLU 43 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ib7 n GLU 44 N -1.66 0.54 -0.44 3.44 4.07 -1.26 -3.09 120.64 122.24 1ib7 n GLU 44 Ca 0.06 0.47 0.40 0.00 -0.06 0.00 0.00 57.16 58.03 1ib7 n GLU 44 Cb 0.36 -1.66 0.64 0.00 -0.06 0.00 0.00 31.44 30.73 1ib7 n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1ib7 h VAL 45 N -1.00 0.04 0.00 6.31 3.04 -1.96 2.03 116.25 124.70 1ib7 h VAL 45 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1ib7 h VAL 45 Cb 1.14 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ib7 h VAL 45 CO -0.18 0.00 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.08 1ib7 h LEU 46 N 0.00 0.00 0.61 3.16 3.38 -1.71 -3.33 115.31 117.41 1ib7 h LEU 46 Ca 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.64 1ib7 h LEU 46 Cb 3.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.97 1ib7 h LEU 46 CO -0.01 0.56 -0.36 0.03 0.09 0.00 0.00 178.44 178.75 1ib7 h ARG 47 N -0.90 -0.88 -0.70 1.13 3.08 -0.31 1.08 114.38 116.88 1ib7 h ARG 47 Ca 0.00 0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.33 1ib7 h ARG 47 Cb 0.22 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.34 1ib7 h ARG 47 CO 0.00 -0.59 0.11 -1.91 -1.07 0.00 0.00 179.97 176.52 1ib7 n GLU 48 N -5.50 -0.05 -2.68 0.04 2.13 0.65 -0.03 120.64 115.20 1ib7 n GLU 48 Ca -0.13 1.03 -0.17 0.00 0.66 0.00 0.00 57.16 58.55 1ib7 n GLU 48 Cb 0.39 -1.69 0.01 0.00 0.27 0.00 0.00 31.44 30.42 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 2.01 0.00 5.31 10.64 -0.95 -4.94 117.38 124.59 1ib7 n GLN 49 Ca 0.19 -3.79 0.00 0.00 -1.83 0.00 0.00 57.00 51.58 1ib7 n GLN 49 Cb 0.64 -1.69 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 -0.17 0.00 -0.62 2.61 0.00 0.37 -4.01 120.51 118.69 1ib7 n ALA 50 Ca 0.22 0.00 0.48 0.00 0.00 0.00 0.00 53.44 54.14 1ib7 n ALA 50 Cb 0.72 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.96 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 0.23 0.00 0.00 0.00 -0.87 -3.33 103.07 99.10 1ib7 h GLY 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ib7 h GLY 51 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1ib7 n GLY 52 N -1.84 -3.40 2.78 4.60 0.00 -1.26 -4.47 105.19 101.60 1ib7 n GLY 52 Ca 0.41 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.97 2.96 -0.13 1.61 -4.77 -1.26 -3.65 116.67 109.45 1ib7 s ASP 53 Ca 0.00 -0.82 0.16 0.00 -3.30 0.00 0.00 52.55 48.59 1ib7 s ASP 53 Cb 0.00 -0.69 0.41 0.00 -1.09 0.00 0.00 42.92 41.55 1ib7 s ASP 53 CO 0.00 -0.28 1.30 0.00 0.70 0.00 0.00 175.17 176.89 1ib7 n ALA 54 N 4.99 2.64 0.05 2.11 0.00 -1.24 -4.74 120.51 124.32 1ib7 n ALA 54 Ca -0.09 -2.18 -0.14 0.00 0.00 0.00 0.00 53.44 51.03 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 1.23 0.00 -0.47 0.00 2.02 -1.91 1.44 112.91 115.22 1ib7 h THR 55 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1ib7 h THR 55 Cb 1.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1ib7 h THR 55 CO 0.12 0.00 -0.04 -0.33 0.37 0.00 0.00 175.52 175.65 1ib7 h GLU 56 N -0.58 0.86 0.00 6.66 3.07 -1.91 0.28 114.58 122.97 1ib7 h GLU 56 Ca 0.01 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1ib7 h GLU 56 Cb 0.62 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1ib7 h GLU 56 CO -0.30 0.93 0.00 0.09 -1.40 0.00 0.00 179.01 178.32 1ib7 n ASN 57 N -4.31 0.46 -0.12 1.42 4.13 -0.91 0.19 115.26 116.12 1ib7 n ASN 57 Ca 0.00 0.67 -0.19 0.00 1.68 0.00 0.00 54.58 56.74 1ib7 n ASN 57 Cb 0.34 -0.74 -0.12 0.00 -1.54 0.00 0.00 39.78 37.71 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 -2.06 0.12 0.09 3.10 7.35 0.49 -4.11 117.46 122.43 1ib7 n PHE 58 Ca 0.00 0.03 -0.14 0.00 -0.76 0.00 0.00 57.45 56.58 1ib7 n PHE 58 Cb 0.10 -1.02 -0.14 0.00 0.35 0.00 0.00 39.48 38.78 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 -0.04 0.21 -0.68 -4.13 -0.00 0.09 -3.23 114.58 106.80 1ib7 h GLU 59 Ca -0.57 -0.35 0.05 0.00 -0.00 0.00 0.00 59.36 58.49 1ib7 h GLU 59 Cb 1.90 0.13 -0.05 0.00 -0.00 0.00 0.00 28.75 30.73 1ib7 h GLU 59 CO -0.09 1.16 0.39 0.22 -0.00 0.00 0.00 179.01 180.70 1ib7 h ASP 60 N 0.06 0.61 0.56 3.06 3.58 0.19 0.40 116.42 124.88 1ib7 h ASP 60 Ca -0.11 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1ib7 h ASP 60 Cb 1.92 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.87 1ib7 h ASP 60 CO 0.19 0.40 0.00 -0.37 -2.88 0.00 0.00 179.24 176.58 1ib7 h VAL 61 N 0.74 0.00 -5.27 2.25 -1.51 -1.71 -3.47 116.25 107.28 1ib7 h VAL 61 Ca 0.29 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.56 1ib7 h VAL 61 Cb 0.13 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1ib7 h VAL 61 CO -0.15 0.00 -0.76 0.61 -1.23 0.00 0.00 177.57 176.03 1ib7 n GLY 62 N -0.33 -2.68 3.76 5.19 0.00 0.14 -4.93 105.19 106.35 1ib7 n GLY 62 Ca 0.01 0.87 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.09 3.40 0.79 1.61 3.76 -1.25 -5.03 115.29 116.47 1ib7 s HIS 63 Ca 0.13 1.61 -0.11 0.00 -0.15 0.00 0.00 55.06 56.54 1ib7 s HIS 63 Cb -0.04 -3.41 0.08 0.00 1.11 0.00 0.00 32.58 30.32 1ib7 s HIS 63 CO 0.77 -0.98 1.14 -1.12 -0.85 0.00 0.00 174.74 173.70 1ib7 s SER 64 N -0.77 4.57 0.21 1.40 0.01 -1.26 -4.86 113.70 113.01 1ib7 s SER 64 Ca 0.46 0.71 -0.10 0.00 1.31 0.00 0.00 55.95 58.33 1ib7 s SER 64 Cb -0.34 -1.23 0.30 0.00 0.21 0.00 0.00 66.02 64.96 1ib7 s SER 64 CO 0.45 -1.84 1.68 0.74 0.41 0.00 0.00 173.24 174.68 1ib7 h THR 65 N -0.95 0.56 -1.00 1.44 2.02 -1.99 0.18 112.91 113.16 1ib7 h THR 65 Ca -0.46 -0.06 0.39 0.00 0.77 0.00 0.00 66.41 67.06 1ib7 h THR 65 Cb 1.33 0.36 -0.18 0.00 -1.74 0.00 0.00 68.15 67.92 1ib7 h THR 65 CO 0.65 0.03 0.50 0.44 0.37 0.00 0.00 175.52 177.51 1ib7 h ASP 66 N 0.18 0.27 -0.09 4.18 3.32 -2.01 1.48 116.42 123.74 1ib7 h ASP 66 Ca 0.32 0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.56 1ib7 h ASP 66 Cb 0.51 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1ib7 h ASP 66 CO -0.47 -0.40 -0.19 0.00 -1.72 0.00 0.00 179.24 176.46 1ib7 h ALA 67 N 1.98 0.15 -1.34 3.45 0.00 -1.01 -2.73 119.26 119.76 1ib7 h ALA 67 Ca 0.81 -0.37 0.41 0.00 0.00 0.00 0.00 54.91 55.76 1ib7 h ALA 67 Cb 2.09 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.75 1ib7 h ALA 67 CO -0.77 0.09 0.89 0.00 0.00 0.00 0.00 179.25 179.47 1ib7 h ARG 68 N -0.15 0.12 0.12 0.00 3.08 0.25 0.71 114.38 118.50 1ib7 h ARG 68 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ib7 h ARG 68 Cb 0.78 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1ib7 h ARG 68 CO 0.04 0.08 -0.06 0.93 -1.07 0.00 0.00 179.97 179.90 1ib7 h GLU 69 N 0.12 -0.15 0.29 0.04 5.08 -1.14 -2.92 114.58 115.91 1ib7 h GLU 69 Ca 0.75 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1ib7 h GLU 69 Cb 2.48 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.74 1ib7 h GLU 69 CO -0.27 0.21 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.43 1ib7 h LEU 70 N -0.97 -1.28 -0.97 1.33 4.07 -0.49 0.35 115.31 117.35 1ib7 h LEU 70 Ca -0.02 0.12 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1ib7 h LEU 70 Cb 0.43 0.44 -0.13 0.00 1.08 0.00 0.00 40.66 42.48 1ib7 h LEU 70 CO 0.03 -0.54 -0.51 0.77 -1.08 0.00 0.00 178.44 177.11 1ib7 h SER 71 N -0.78 -1.86 -0.11 -0.43 4.64 0.13 3.23 113.55 118.38 1ib7 h SER 71 Ca -0.03 0.32 0.03 0.00 -0.47 0.00 0.00 61.79 61.64 1ib7 h SER 71 Cb 0.71 0.87 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1ib7 h SER 71 CO -0.14 -0.26 0.09 0.50 -0.87 0.00 0.00 176.83 176.15 1ib7 h LYS 72 N -0.02 0.00 0.00 4.77 3.64 -1.25 0.11 116.57 123.82 1ib7 h LYS 72 Ca 0.23 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 1ib7 h LYS 72 Cb 0.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1ib7 h LYS 72 CO -0.94 0.00 -1.00 1.15 -2.27 0.00 0.00 179.45 176.38 1ib7 h THR 73 N 0.00 1.72 -1.00 1.00 2.02 0.90 -3.25 112.91 114.30 1ib7 h THR 73 Ca 0.05 -3.43 -0.63 0.00 0.77 0.00 0.00 66.41 63.17 1ib7 h THR 73 Cb 0.23 2.85 -0.30 0.00 -1.74 0.00 0.00 68.15 69.19 1ib7 h THR 73 CO -0.00 0.98 0.80 -1.22 0.37 0.00 0.00 175.52 176.45 1ib7 n TYR 74 N -3.35 3.18 -4.41 3.16 4.02 0.73 -4.94 117.16 115.56 1ib7 n TYR 74 Ca -0.00 -2.69 -0.35 0.00 -0.01 0.00 0.00 57.90 54.85 1ib7 n TYR 74 Cb 0.94 -1.30 -0.10 0.00 -0.02 0.00 0.00 39.34 38.86 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 -4.39 4.22 0.00 -0.72 1.10 -0.84 -1.91 121.20 118.66 1ib7 s ILE 75 Ca 0.63 -0.28 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 1ib7 s ILE 75 Cb 0.50 -2.77 0.00 0.00 0.15 0.00 0.00 42.46 40.34 1ib7 s ILE 75 CO 0.02 0.60 0.00 2.30 -2.11 0.00 0.00 174.94 175.76 1ib7 n ILE 76 N 2.18 0.00 -3.33 2.00 -0.00 -1.26 -4.96 119.36 113.98 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 -0.67 0.00 0.00 -0.00 0.00 0.00 39.64 39.51 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 2.77 -0.81 3.45 3.28 0.00 -1.26 -4.61 105.19 108.00 1ib7 n GLY 77 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.67 1.61 0.05 1.61 -1.05 0.18 -2.76 118.70 117.67 1ib7 s GLU 78 Ca 0.00 -1.82 -0.04 0.00 -0.15 0.00 0.00 54.97 52.96 1ib7 s GLU 78 Cb 0.00 -1.27 -0.05 0.00 -0.44 0.00 0.00 34.13 32.38 1ib7 s GLU 78 CO 0.00 0.05 0.26 -0.48 0.95 0.00 0.00 175.26 176.04 1ib7 s LEU 79 N -3.48 4.35 -0.43 1.83 -0.00 -1.26 0.23 118.68 119.92 1ib7 s LEU 79 Ca 0.30 0.44 -0.42 0.00 -0.00 0.00 0.00 54.13 54.45 1ib7 s LEU 79 Cb 0.04 -2.87 -0.17 0.00 -0.00 0.00 0.00 46.19 43.18 1ib7 s LEU 79 CO 0.13 0.19 1.94 1.57 -0.00 0.00 0.00 176.35 180.18 1ib7 n HIS 80 N 0.64 1.57 1.12 3.48 -0.00 0.58 -4.70 115.22 117.91 1ib7 n HIS 80 Ca -0.08 0.72 0.11 0.00 -0.00 0.00 0.00 57.72 58.48 1ib7 n HIS 80 Cb 0.52 -2.35 0.59 0.00 -0.00 0.00 0.00 29.99 28.74 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 6.36 0.37 0.09 1.57 -0.04 -1.26 -1.34 135.00 140.74 1ib7 n PRO 81 Ca 0.41 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1ib7 n PRO 81 Cb 0.04 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.27 0.01 3.54 3.58 -1.98 -3.29 116.42 118.55 1ib7 h ASP 82 Ca 0.00 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ib7 h ASP 82 Cb 0.19 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1ib7 h ASP 82 CO 0.00 1.22 -1.69 0.47 -2.88 0.00 0.00 179.24 176.36 1ib7 n ASP 83 N -3.47 0.30 0.26 2.28 9.92 -1.06 -4.14 116.55 120.64 1ib7 n ASP 83 Ca -0.05 -0.29 0.17 0.00 -0.53 0.00 0.00 54.79 54.09 1ib7 n ASP 83 Cb 0.99 1.68 0.93 0.00 -0.64 0.00 0.00 41.12 44.08 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 0.00 -1.98 -1.24 1.12 -1.27 -2.23 114.38 108.78 1ib7 h ARG 84 Ca 0.00 0.00 -0.71 0.00 -1.11 0.00 0.00 59.98 58.16 1ib7 h ARG 84 Cb 0.85 0.00 -0.33 0.00 -0.01 0.00 0.00 29.97 30.49 1ib7 h ARG 84 CO 0.00 0.00 0.40 0.43 -3.11 0.00 0.00 179.97 177.69 1ib7 n SER 85 N -2.69 6.40 -1.42 -3.80 7.64 -1.25 -4.67 113.62 113.82 1ib7 n SER 85 Ca -0.02 -3.76 0.02 0.00 1.01 0.00 0.00 58.87 56.12 1ib7 n SER 85 Cb 0.06 -0.88 0.23 0.00 -1.01 0.00 0.00 64.21 62.61 1ib7 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ib7 n LYS 86 N -0.38 3.21 0.11 1.43 0.00 -0.84 -4.07 118.16 117.63 1ib7 n LYS 86 Ca 0.46 -1.95 -0.03 0.00 0.00 0.00 0.00 58.31 56.80 1ib7 n LYS 86 Cb 0.36 -1.95 0.18 0.00 0.00 0.00 0.00 35.03 33.62 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 2.23 1.38 0.00 3.15 6.09 -1.87 -3.54 117.51 124.95 1ib7 h ILE 87 Ca 0.05 -1.89 0.00 0.00 -1.37 0.00 0.00 64.86 61.66 1ib7 h ILE 87 Cb 1.52 1.97 0.00 0.00 0.47 0.00 0.00 36.82 40.78 1ib7 h ILE 87 CO 0.36 0.55 0.00 0.00 -3.07 0.00 0.00 178.15 175.99