#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 3.46 -0.42 1.45 2.47 -1.26 -4.99 119.74 120.45 1ib7 s LYS 5 Ca 0.00 -0.58 -0.15 0.00 -1.56 0.00 0.00 55.97 53.68 1ib7 s LYS 5 Cb 0.00 -3.10 0.03 0.00 -1.46 0.00 0.00 37.83 33.30 1ib7 s LYS 5 CO 0.00 -0.19 0.31 0.71 0.16 0.00 0.00 175.35 176.34 1ib7 s TYR 6 N 1.50 3.24 0.18 4.03 2.02 -1.23 -0.03 117.35 127.06 1ib7 s TYR 6 Ca 0.06 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 1ib7 s TYR 6 Cb -0.14 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.69 1ib7 s TYR 6 CO -0.01 -0.63 0.32 0.71 -1.57 0.00 0.00 175.55 174.36 1ib7 s TYR 7 N 1.67 3.48 0.22 2.71 2.02 0.77 -4.71 117.35 123.52 1ib7 s TYR 7 Ca 0.05 0.13 -0.21 0.00 -0.37 0.00 0.00 57.07 56.67 1ib7 s TYR 7 Cb -0.20 -1.68 -0.08 0.00 -0.40 0.00 0.00 41.96 39.59 1ib7 s TYR 7 CO 0.09 0.48 0.75 0.95 -1.57 0.00 0.00 175.55 176.25 1ib7 s THR 8 N -1.81 4.51 0.64 -0.71 -4.23 -1.26 0.23 115.64 113.01 1ib7 s THR 8 Ca 0.35 1.39 0.23 0.00 -1.18 0.00 0.00 61.69 62.49 1ib7 s THR 8 Cb -0.11 -3.91 0.27 0.00 1.34 0.00 0.00 72.50 70.09 1ib7 s THR 8 CO 0.29 0.25 1.67 0.17 -0.54 0.00 0.00 174.62 176.45 1ib7 h LEU 9 N 3.53 0.00 -1.43 4.79 -0.00 -1.90 1.24 115.31 121.54 1ib7 h LEU 9 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.36 1ib7 h LEU 9 Cb 1.20 0.00 -0.01 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 0.27 0.00 0.17 5.08 -1.99 -2.98 114.58 115.12 1ib7 h GLU 10 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ib7 h GLU 10 Cb 1.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ib7 h GLU 10 CO -0.00 0.37 0.00 0.39 -1.00 0.00 0.00 179.01 178.77 1ib7 n GLU 11 N -4.30 0.00 -0.20 2.33 4.71 0.43 -1.65 120.64 121.95 1ib7 n GLU 11 Ca -0.00 0.19 0.16 0.00 -0.01 0.00 0.00 57.16 57.50 1ib7 n GLU 11 Cb 0.24 -1.15 0.29 0.00 -1.01 0.00 0.00 31.44 29.82 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 -1.08 -0.26 0.00 -3.67 -0.00 -1.24 0.11 119.36 113.22 1ib7 n ILE 12 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 62.75 64.04 1ib7 n ILE 12 Cb 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 39.64 37.62 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 -4.55 0.00 -0.03 6.28 1.13 -1.13 -2.21 117.38 116.88 1ib7 n GLN 13 Ca 0.20 0.37 0.24 0.00 -1.94 0.00 0.00 57.00 55.87 1ib7 n GLN 13 Cb 0.67 -1.30 0.72 0.00 0.11 0.00 0.00 30.24 30.44 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 -1.79 -1.09 2.10 0.48 0.15 116.57 116.42 1ib7 h LYS 14 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1ib7 h LYS 14 Cb 0.00 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.13 1ib7 h LYS 14 CO 0.00 0.00 0.58 0.72 -2.00 0.00 0.00 179.45 178.75 1ib7 n HIS 15 N -3.93 2.03 -1.35 0.07 8.25 0.29 -4.35 115.22 116.23 1ib7 n HIS 15 Ca 0.13 -2.14 -0.07 0.00 -0.26 0.00 0.00 57.72 55.38 1ib7 n HIS 15 Cb 0.80 -1.27 0.21 0.00 1.12 0.00 0.00 29.99 30.85 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 0.30 2.09 -4.49 -0.41 4.81 0.52 -2.17 118.16 118.80 1ib7 n LYS 16 Ca 0.48 -3.12 -0.23 0.00 -0.87 0.00 0.00 58.31 54.56 1ib7 n LYS 16 Cb 0.51 -1.90 -0.11 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.21 2.74 0.16 3.14 2.15 -1.21 -4.86 116.67 116.58 1ib7 s ASP 17 Ca 0.47 -1.37 -0.16 0.00 0.43 0.00 0.00 52.55 51.92 1ib7 s ASP 17 Cb 0.41 -0.16 0.08 0.00 -0.30 0.00 0.00 42.92 42.95 1ib7 s ASP 17 CO 0.03 -0.56 1.71 0.28 -0.17 0.00 0.00 175.17 176.46 1ib7 h SER 18 N 2.04 -0.09 -0.81 -0.34 0.02 -1.98 -1.40 113.55 111.00 1ib7 h SER 18 Ca -0.41 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1ib7 h SER 18 Cb 1.24 0.13 -0.12 0.00 0.14 0.00 0.00 62.40 63.79 1ib7 h SER 18 CO 0.72 -0.01 -0.49 0.50 -1.14 0.00 0.00 176.83 176.41 1ib7 h LYS 19 N 0.13 -0.11 -3.05 3.45 3.64 -1.96 -3.27 116.57 115.40 1ib7 h LYS 19 Ca 0.17 0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.95 1ib7 h LYS 19 Cb 0.23 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.67 1ib7 h LYS 19 CO -0.27 -0.07 -0.74 -1.12 -2.27 0.00 0.00 179.45 174.98 1ib7 s SER 20 N -5.32 3.69 -0.42 4.20 0.01 -0.85 -4.94 113.70 110.07 1ib7 s SER 20 Ca -0.13 -2.53 -0.17 0.00 1.31 0.00 0.00 55.95 54.42 1ib7 s SER 20 Cb 0.14 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.36 1ib7 s SER 20 CO 0.65 -0.28 0.45 -0.89 0.41 0.00 0.00 173.24 173.58 1ib7 s THR 21 N 0.48 5.07 0.28 1.44 2.01 -0.58 -3.21 115.64 121.13 1ib7 s THR 21 Ca 0.17 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 62.01 1ib7 s THR 21 Cb -0.24 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1ib7 s THR 21 CO -0.01 -0.41 -0.14 0.26 -0.69 0.00 0.00 174.62 173.63 1ib7 s TRP 22 N 2.18 2.42 -0.23 4.92 0.52 -0.92 -2.99 118.94 124.83 1ib7 s TRP 22 Ca 0.13 -0.30 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1ib7 s TRP 22 Cb -0.17 -1.06 0.09 0.00 -1.15 0.00 0.00 33.47 31.18 1ib7 s TRP 22 CO 0.14 0.69 0.53 0.54 0.02 0.00 0.00 176.95 178.87 1ib7 s VAL 23 N -2.45 -0.43 -0.24 4.03 0.11 -1.23 -1.29 120.40 118.90 1ib7 s VAL 23 Ca 0.30 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 1ib7 s VAL 23 Cb -0.05 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1ib7 s VAL 23 CO 0.17 0.03 1.56 -0.63 -3.33 0.00 0.00 175.10 172.89 1ib7 s ILE 24 N 2.16 3.77 -0.05 7.04 1.01 -1.24 -0.71 121.20 133.18 1ib7 s ILE 24 Ca -0.06 0.87 0.04 0.00 0.00 0.00 0.00 60.65 61.49 1ib7 s ILE 24 Cb -0.10 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1ib7 s ILE 24 CO -0.16 -0.34 -0.16 -0.76 0.00 0.00 0.00 174.94 173.52 1ib7 s LEU 25 N 5.10 1.85 -1.38 2.97 1.02 0.78 -2.94 118.68 126.08 1ib7 s LEU 25 Ca 0.69 -0.34 -0.18 0.00 0.02 0.00 0.00 54.13 54.32 1ib7 s LEU 25 Cb -0.23 -0.93 0.18 0.00 0.02 0.00 0.00 46.19 45.22 1ib7 s LEU 25 CO 0.28 0.12 0.44 1.41 0.02 0.00 0.00 176.35 178.62 1ib7 n HIS 26 N 3.34 -1.16 -2.65 0.29 8.25 -1.26 0.21 115.22 122.23 1ib7 n HIS 26 Ca -0.19 0.50 -0.08 0.00 -0.26 0.00 0.00 57.72 57.69 1ib7 n HIS 26 Cb 0.53 -1.51 0.04 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.40 -1.10 -3.64 4.41 8.25 -1.26 -5.04 115.22 113.43 1ib7 n HIS 27 Ca 0.09 0.46 -0.03 0.00 -0.26 0.00 0.00 57.72 57.97 1ib7 n HIS 27 Cb 0.41 -3.49 -0.07 0.00 1.12 0.00 0.00 29.99 27.96 1ib7 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ib7 s LYS 28 N -4.52 0.36 0.32 -0.41 0.00 0.57 -4.58 119.74 111.49 1ib7 s LYS 28 Ca 0.03 0.58 -0.27 0.00 0.00 0.00 0.00 55.97 56.32 1ib7 s LYS 28 Cb -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 37.83 37.83 1ib7 s LYS 28 CO 0.36 -0.07 1.03 0.14 0.00 0.00 0.00 175.35 176.82 1ib7 s VAL 29 N 1.08 3.77 -0.31 1.79 -7.23 -0.86 0.27 120.40 118.91 1ib7 s VAL 29 Ca -0.06 1.57 0.02 0.00 -1.81 0.00 0.00 61.98 61.69 1ib7 s VAL 29 Cb -0.04 -3.92 0.08 0.00 0.56 0.00 0.00 36.38 33.06 1ib7 s VAL 29 CO -0.13 0.22 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.56 1ib7 s TYR 30 N -1.42 3.47 -1.19 2.82 1.51 0.11 -4.29 117.35 118.37 1ib7 s TYR 30 Ca 0.50 -2.48 -0.21 0.00 -1.01 0.00 0.00 57.07 53.86 1ib7 s TYR 30 Cb -0.25 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.18 1ib7 s TYR 30 CO 0.32 -0.90 1.79 0.34 -1.11 0.00 0.00 175.55 175.99 1ib7 s ASP 31 N 1.13 6.03 -0.54 2.29 -1.08 -0.72 -3.51 116.67 120.27 1ib7 s ASP 31 Ca -0.00 -1.88 0.02 0.00 -0.52 0.00 0.00 52.55 50.16 1ib7 s ASP 31 Cb -0.20 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.22 1ib7 s ASP 31 CO -0.05 -2.01 1.91 0.00 0.52 0.00 0.00 175.17 175.54 1ib7 n LEU 32 N 11.00 6.93 -0.22 -1.34 -0.00 -1.16 -4.60 117.00 127.61 1ib7 n LEU 32 Ca 0.45 -4.02 -0.04 0.00 -0.00 0.00 0.00 56.01 52.40 1ib7 n LEU 32 Cb 0.47 -0.87 0.07 0.00 -0.00 0.00 0.00 43.42 43.09 1ib7 n LEU 32 CO 0.71 1.33 1.10 0.74 -0.00 0.00 0.00 177.39 181.26 1ib7 h THR 33 N 1.06 1.04 -0.22 1.47 2.02 -1.84 1.70 112.91 118.15 1ib7 h THR 33 Ca 0.58 -0.25 -0.18 0.00 0.77 0.00 0.00 66.41 67.34 1ib7 h THR 33 Cb 1.72 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1ib7 h THR 33 CO 1.28 0.13 -0.56 0.50 0.37 0.00 0.00 175.52 177.24 1ib7 h LYS 34 N 0.72 0.76 -0.66 6.66 3.64 -1.92 -2.89 116.57 122.87 1ib7 h LYS 34 Ca 0.26 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ib7 h LYS 34 Cb 0.07 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1ib7 h LYS 34 CO -0.13 1.15 0.00 0.98 -2.27 0.00 0.00 179.45 179.19 1ib7 n TYR 35 N -4.08 0.85 -0.03 1.91 9.36 -0.86 -4.07 117.16 120.24 1ib7 n TYR 35 Ca -0.06 -0.32 -0.14 0.00 3.32 0.00 0.00 57.90 60.71 1ib7 n TYR 35 Cb 0.63 -0.21 -0.10 0.00 -0.63 0.00 0.00 39.34 39.04 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 1.99 0.19 -0.18 2.98 7.12 0.28 -1.91 115.31 125.77 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 0.99 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1ib7 h LEU 36 CO 0.17 0.77 -0.40 -1.84 -0.13 0.00 0.00 178.44 177.01 1ib7 n GLU 37 N -4.63 0.31 0.10 1.25 0.28 -1.26 -3.63 120.64 113.06 1ib7 n GLU 37 Ca -0.08 -0.18 0.06 0.00 -0.16 0.00 0.00 57.16 56.80 1ib7 n GLU 37 Cb 0.39 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 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 0.43 0.00 -6.27 3.44 4.22 -1.70 -3.47 114.58 111.23 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 0.19 0.70 1.58 -2.18 0.00 0.00 179.01 179.30 1ib7 n HIS 39 N -2.89 1.86 0.11 0.92 -0.00 -0.72 -4.85 115.22 109.66 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 0.69 -2.43 0.08 0.00 -0.12 0.00 0.00 29.99 28.20 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 5.99 0.00 0.16 1.57 0.13 -1.91 -3.35 132.00 134.60 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 2.28 -0.23 -4.86 1.56 0.00 -1.99 -3.48 103.07 96.35 1ib7 h GLY 41 Ca -0.01 0.08 0.16 0.00 0.00 0.00 0.00 47.33 47.57 1ib7 h GLY 41 CO 0.10 -0.08 0.75 -0.32 0.00 0.00 0.00 176.54 176.98 1ib7 s GLY 42 N -1.50 -0.05 0.21 4.60 0.00 -1.26 -5.02 107.32 104.31 1ib7 s GLY 42 Ca -0.03 2.56 0.24 0.00 0.00 0.00 0.00 44.72 47.49 1ib7 s GLY 42 CO 0.10 1.21 1.30 1.05 0.00 0.00 0.00 173.10 176.76 1ib7 h GLU 43 N 2.51 0.00 0.00 2.90 4.11 -1.81 -3.36 114.58 118.93 1ib7 h GLU 43 Ca -0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 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 0.24 0.00 -0.63 1.49 0.07 0.00 0.00 179.01 180.19 1ib7 h GLU 44 N 0.00 0.00 -1.83 1.06 4.57 -1.95 -2.92 114.58 113.51 1ib7 h GLU 44 Ca 0.00 0.00 0.53 0.00 -1.18 0.00 0.00 59.36 58.71 1ib7 h GLU 44 Cb 0.88 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.40 1ib7 h GLU 44 CO 0.00 0.56 1.40 1.55 -1.18 0.00 0.00 179.01 181.34 1ib7 n VAL 45 N -4.57 0.00 -0.05 0.32 3.14 -1.26 0.24 118.33 116.14 1ib7 n VAL 45 Ca -0.16 1.45 -0.02 0.00 -2.96 0.00 0.00 64.34 62.66 1ib7 n VAL 45 Cb 0.42 -2.45 -0.01 0.00 -1.06 0.00 0.00 33.84 30.75 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 0.60 6.55 3.38 -1.70 -3.33 115.31 120.81 1ib7 h LEU 46 Ca 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.81 1ib7 h LEU 46 Cb 3.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.40 1ib7 h LEU 46 CO -0.01 0.55 -0.37 0.03 0.09 0.00 0.00 178.44 178.74 1ib7 h ARG 47 N -0.94 -0.88 -0.68 1.13 3.08 -0.00 1.02 114.38 117.11 1ib7 h ARG 47 Ca 0.00 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.32 1ib7 h ARG 47 Cb 0.17 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.30 1ib7 h ARG 47 CO 0.00 -0.59 0.10 -1.91 -1.07 0.00 0.00 179.97 176.50 1ib7 n GLU 48 N -5.51 -0.05 -2.62 0.04 2.13 0.65 0.20 120.64 115.48 1ib7 n GLU 48 Ca -0.13 1.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.52 1ib7 n GLU 48 Cb 0.39 -1.64 0.01 0.00 0.27 0.00 0.00 31.44 30.48 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 -4.83 2.13 0.00 5.31 10.64 -0.94 -4.93 117.38 124.76 1ib7 n GLN 49 Ca 0.18 -3.82 0.00 0.00 -1.83 0.00 0.00 57.00 51.53 1ib7 n GLN 49 Cb 0.61 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 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 -0.22 0.00 -0.51 2.61 0.00 0.35 -3.98 120.51 118.76 1ib7 n ALA 50 Ca 0.23 0.00 0.43 0.00 0.00 0.00 0.00 53.44 54.09 1ib7 n ALA 50 Cb 0.73 0.00 0.76 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 0.25 0.00 0.00 0.00 -1.22 -3.32 103.07 98.77 1ib7 h GLY 51 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ib7 h GLY 51 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1ib7 n GLY 52 N -1.79 -3.47 2.78 4.60 0.00 -1.26 -4.46 105.19 101.60 1ib7 n GLY 52 Ca 0.35 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 3.10 -0.14 1.61 -1.08 -1.26 -3.65 116.67 113.27 1ib7 s ASP 53 Ca 0.00 -0.90 0.15 0.00 -0.52 0.00 0.00 52.55 51.29 1ib7 s ASP 53 Cb 0.00 -0.72 0.47 0.00 -1.46 0.00 0.00 42.92 41.21 1ib7 s ASP 53 CO 0.00 -0.29 1.37 0.00 0.52 0.00 0.00 175.17 176.77 1ib7 n ALA 54 N 4.97 2.78 0.06 3.66 0.00 -1.24 -4.72 120.51 126.03 1ib7 n ALA 54 Ca -0.10 -2.07 -0.15 0.00 0.00 0.00 0.00 53.44 51.12 1ib7 n ALA 54 Cb 0.46 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 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 1.73 0.00 -0.52 0.00 2.02 -1.90 1.54 112.91 115.77 1ib7 h THR 55 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1ib7 h THR 55 Cb 1.27 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ib7 h THR 55 CO 0.16 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.72 1ib7 h GLU 56 N -0.64 0.92 0.00 6.66 3.07 -1.90 0.41 114.58 123.10 1ib7 h GLU 56 Ca 0.01 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1ib7 h GLU 56 Cb 0.68 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1ib7 h GLU 56 CO -0.32 0.95 0.00 0.09 -1.40 0.00 0.00 179.01 178.33 1ib7 n ASN 57 N -4.29 0.46 -0.12 1.42 4.13 -0.88 0.20 115.26 116.18 1ib7 n ASN 57 Ca 0.01 0.66 -0.18 0.00 1.68 0.00 0.00 54.58 56.75 1ib7 n ASN 57 Cb 0.33 -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 -2.05 0.06 0.05 3.10 7.35 0.52 -4.08 117.46 122.41 1ib7 n PHE 58 Ca 0.01 0.01 -0.09 0.00 -0.76 0.00 0.00 57.45 56.63 1ib7 n PHE 58 Cb 0.13 -1.01 -0.13 0.00 0.35 0.00 0.00 39.48 38.82 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 0.00 0.04 -0.61 -4.13 -0.00 0.24 -3.22 114.58 106.90 1ib7 h GLU 59 Ca -0.57 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 58.71 1ib7 h GLU 59 Cb 1.91 0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 30.65 1ib7 h GLU 59 CO -0.08 0.96 0.36 0.22 -0.00 0.00 0.00 179.01 180.47 1ib7 h ASP 60 N 0.01 0.74 0.62 3.06 3.58 0.20 0.61 116.42 125.25 1ib7 h ASP 60 Ca -0.07 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1ib7 h ASP 60 Cb 1.83 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1ib7 h ASP 60 CO 0.13 0.60 0.00 -0.37 -2.88 0.00 0.00 179.24 176.72 1ib7 h VAL 61 N 0.83 0.00 -5.22 2.25 -1.51 -1.71 -3.47 116.25 107.42 1ib7 h VAL 61 Ca 0.22 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1ib7 h VAL 61 Cb -0.00 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1ib7 h VAL 61 CO -0.04 0.00 -0.72 0.61 -1.23 0.00 0.00 177.57 176.19 1ib7 n GLY 62 N -0.27 -2.68 3.76 5.19 0.00 0.20 -4.93 105.19 106.46 1ib7 n GLY 62 Ca 0.01 0.91 -0.40 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.17 3.38 0.80 1.61 3.76 -1.25 -5.03 115.29 116.39 1ib7 s HIS 63 Ca 0.14 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 56.53 1ib7 s HIS 63 Cb -0.04 -3.43 0.08 0.00 1.11 0.00 0.00 32.58 30.30 1ib7 s HIS 63 CO 0.78 -1.03 1.16 -1.12 -0.85 0.00 0.00 174.74 173.67 1ib7 s SER 64 N -0.74 4.55 0.21 1.40 0.01 -1.26 -4.88 113.70 112.99 1ib7 s SER 64 Ca 0.46 0.74 -0.10 0.00 1.31 0.00 0.00 55.95 58.36 1ib7 s SER 64 Cb -0.35 -1.26 0.30 0.00 0.21 0.00 0.00 66.02 64.92 1ib7 s SER 64 CO 0.45 -1.86 1.69 0.74 0.41 0.00 0.00 173.24 174.67 1ib7 h THR 65 N -1.00 0.59 -1.02 1.44 2.02 -2.00 0.16 112.91 113.11 1ib7 h THR 65 Ca -0.46 -0.07 0.40 0.00 0.77 0.00 0.00 66.41 67.05 1ib7 h THR 65 Cb 1.33 0.36 -0.17 0.00 -1.74 0.00 0.00 68.15 67.93 1ib7 h THR 65 CO 0.65 0.04 0.56 0.44 0.37 0.00 0.00 175.52 177.58 1ib7 h ASP 66 N 0.21 0.37 -0.12 4.18 5.19 -2.01 1.48 116.42 125.72 1ib7 h ASP 66 Ca 0.32 0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.93 1ib7 h ASP 66 Cb 0.49 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 1ib7 h ASP 66 CO -0.44 -0.35 -0.07 0.00 -3.12 0.00 0.00 179.24 175.26 1ib7 h ALA 67 N 1.94 0.18 -0.94 3.45 0.00 -1.03 -2.80 119.26 120.06 1ib7 h ALA 67 Ca 0.82 -0.27 0.27 0.00 0.00 0.00 0.00 54.91 55.73 1ib7 h ALA 67 Cb 2.12 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.70 1ib7 h ALA 67 CO -0.71 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 178.65 1ib7 h ARG 68 N -0.09 0.07 0.12 0.00 3.08 0.24 1.00 114.38 118.79 1ib7 h ARG 68 Ca 0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ib7 h ARG 68 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ib7 h ARG 68 CO 0.02 0.05 -0.06 0.93 -1.07 0.00 0.00 179.97 179.84 1ib7 h GLU 69 N 0.07 -0.15 0.19 0.04 3.07 -1.27 -2.44 114.58 114.08 1ib7 h GLU 69 Ca 0.60 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.46 1ib7 h GLU 69 Cb 1.26 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1ib7 h GLU 69 CO -0.81 0.11 -0.10 -0.07 -1.40 0.00 0.00 179.01 176.73 1ib7 h LEU 70 N -0.40 -0.25 -0.60 1.33 4.07 -0.04 0.10 115.31 119.52 1ib7 h LEU 70 Ca -0.02 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.02 1ib7 h LEU 70 Cb 0.32 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 1ib7 h LEU 70 CO 0.03 -0.17 -0.31 -1.54 -1.08 0.00 0.00 178.44 175.37 1ib7 n SER 71 N -2.81 -0.54 0.08 -0.43 3.41 0.30 0.22 113.62 113.84 1ib7 n SER 71 Ca -0.03 1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 59.52 1ib7 n SER 71 Cb 0.11 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.32 -0.30 4.33 3.11 -1.33 -0.28 116.57 121.78 1ib7 h LYS 72 Ca 0.14 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.07 1ib7 h LYS 72 Cb 0.29 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1ib7 h LYS 72 CO -0.58 -0.21 0.21 1.15 -2.81 0.00 0.00 179.45 177.22 1ib7 h THR 73 N -0.33 0.90 -1.00 1.00 2.02 0.51 -0.63 112.91 115.39 1ib7 h THR 73 Ca 0.04 -0.04 -0.68 0.00 0.77 0.00 0.00 66.41 66.51 1ib7 h THR 73 Cb 0.38 0.79 -0.29 0.00 -1.74 0.00 0.00 68.15 67.29 1ib7 h THR 73 CO -0.15 0.02 0.88 -1.22 0.37 0.00 0.00 175.52 175.42 1ib7 n TYR 74 N -4.47 3.23 -5.05 3.16 4.02 0.60 -4.93 117.16 113.72 1ib7 n TYR 74 Ca 0.04 -3.02 -0.32 0.00 -0.01 0.00 0.00 57.90 54.59 1ib7 n TYR 74 Cb 0.31 -1.45 -0.14 0.00 -0.02 0.00 0.00 39.34 38.03 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 -4.80 2.57 0.00 -0.72 2.07 -0.25 -1.76 121.20 118.31 1ib7 s ILE 75 Ca 0.65 -0.96 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 1ib7 s ILE 75 Cb 0.51 -1.97 0.00 0.00 0.13 0.00 0.00 42.46 41.13 1ib7 s ILE 75 CO -0.01 0.55 0.00 2.30 -1.91 0.00 0.00 174.94 175.88 1ib7 n ILE 76 N 2.27 0.00 -2.34 2.00 -0.00 -1.26 -4.95 119.36 115.08 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 -0.50 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 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 3.17 -1.38 3.73 3.28 0.00 -1.26 -4.42 105.19 108.31 1ib7 n GLY 77 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.98 2.22 0.13 1.61 -1.05 0.95 -2.03 118.70 119.56 1ib7 s GLU 78 Ca 0.00 -1.84 0.03 0.00 -0.15 0.00 0.00 54.97 53.02 1ib7 s GLU 78 Cb 0.00 -1.98 -0.04 0.00 -0.44 0.00 0.00 34.13 31.67 1ib7 s GLU 78 CO 0.00 -0.10 0.16 -0.48 0.95 0.00 0.00 175.26 175.79 1ib7 s LEU 79 N -3.89 3.98 -0.48 1.83 -0.00 -1.26 -0.16 118.68 118.69 1ib7 s LEU 79 Ca 0.41 0.01 -0.43 0.00 -0.00 0.00 0.00 54.13 54.11 1ib7 s LEU 79 Cb 0.04 -2.60 -0.19 0.00 -0.00 0.00 0.00 46.19 43.44 1ib7 s LEU 79 CO 0.22 0.10 1.99 1.57 -0.00 0.00 0.00 176.35 180.23 1ib7 n HIS 80 N -0.13 1.22 1.16 3.48 -0.00 0.63 -4.71 115.22 116.86 1ib7 n HIS 80 Ca -0.08 0.81 0.11 0.00 -0.00 0.00 0.00 57.72 58.56 1ib7 n HIS 80 Cb 0.53 -2.21 0.60 0.00 -0.00 0.00 0.00 29.99 28.91 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 6.70 0.41 0.14 1.57 -0.04 -1.26 -2.74 135.00 139.78 1ib7 n PRO 81 Ca 0.49 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.77 1ib7 n PRO 81 Cb -0.04 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.76 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 0.80 -1.00 3.54 3.58 -1.99 -3.25 116.42 118.11 1ib7 h ASP 82 Ca 0.00 -0.87 -0.52 0.00 0.42 0.00 0.00 57.03 56.06 1ib7 h ASP 82 Cb 0.17 -0.26 -0.31 0.00 1.72 0.00 0.00 39.33 40.65 1ib7 h ASP 82 CO 0.00 1.68 0.66 0.47 -2.88 0.00 0.00 179.24 179.17 1ib7 n ASP 83 N -3.69 3.78 0.00 2.28 9.92 -1.11 -4.35 116.55 123.38 1ib7 n ASP 83 Ca -0.16 -3.61 0.12 0.00 -0.53 0.00 0.00 54.79 50.61 1ib7 n ASP 83 Cb 1.10 -0.84 0.56 0.00 -0.64 0.00 0.00 41.12 41.30 1ib7 n ASP 83 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ib7 n ARG 84 N -1.15 0.06 -1.10 -1.24 1.85 -1.20 -2.99 116.66 110.89 1ib7 n ARG 84 Ca 0.60 0.06 -0.23 0.00 -1.00 0.00 0.00 57.85 57.28 1ib7 n ARG 84 Cb 1.67 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 31.72 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 -1.47 4.34 -2.03 2.89 7.64 -1.26 -4.29 113.62 119.45 1ib7 n SER 85 Ca 0.07 -3.44 -0.05 0.00 1.01 0.00 0.00 58.87 56.46 1ib7 n SER 85 Cb 0.28 -0.83 0.32 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.88 3.89 -0.10 1.43 4.76 -1.16 -4.23 118.16 121.87 1ib7 n LYS 86 Ca 0.53 -3.11 -0.24 0.00 -2.87 0.00 0.00 58.31 52.62 1ib7 n LYS 86 Cb 1.36 -2.24 -0.12 0.00 -1.84 0.00 0.00 35.03 32.20 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 -0.07 1.58 0.00 -0.18 5.41 -1.26 -5.14 119.36 119.69 1ib7 n ILE 87 Ca 0.41 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1ib7 n ILE 87 Cb 1.39 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 1ib7 n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55