#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibv h GLU 2 N 0.00 0.00 -0.34 4.33 4.57 -2.07 -0.13 114.58 120.94 1ibv h GLU 2 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ibv h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1ibv h GLU 2 CO 0.00 0.00 -0.08 1.25 -1.18 0.00 0.00 179.01 179.00 1ibv h LEU 3 N 0.00 0.66 -1.45 1.64 5.85 -2.06 -2.87 115.31 117.09 1ibv h LEU 3 Ca 0.04 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.51 1ibv h LEU 3 Cb 0.35 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1ibv h LEU 3 CO -0.00 0.87 0.50 0.44 -0.34 0.00 0.00 178.44 179.91 1ibv h ASP 4 N 0.44 0.55 -0.69 1.25 3.32 -1.44 -0.14 116.42 119.71 1ibv h ASP 4 Ca 0.09 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1ibv h ASP 4 Cb 0.58 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1ibv h ASP 4 CO 0.03 0.32 0.44 0.00 -1.72 0.00 0.00 179.24 178.31 1ibv h ALA 5 N 1.63 0.89 -0.23 3.45 0.00 -1.49 0.31 119.26 123.82 1ibv h ALA 5 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1ibv h ALA 5 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ibv h ALA 5 CO -0.13 0.25 -0.04 0.87 0.00 0.00 0.00 179.25 180.20 1ibv h LYS 6 N 0.89 0.44 -0.69 0.00 1.57 -1.08 -2.99 116.57 114.70 1ibv h LYS 6 Ca 0.27 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1ibv h LYS 6 Cb -0.04 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1ibv h LYS 6 CO -0.08 0.65 0.42 -0.07 -0.57 0.00 0.00 179.45 179.80 1ibv h LEU 7 N 0.18 0.66 -1.31 2.94 4.07 -0.48 -2.22 115.31 119.16 1ibv h LEU 7 Ca 0.06 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1ibv h LEU 7 Cb 0.48 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1ibv h LEU 7 CO 0.02 0.45 0.49 0.78 -1.08 0.00 0.00 178.44 179.09 1ibv h ASN 8 N 0.80 0.78 0.35 -0.43 -0.26 -0.16 -0.12 115.58 116.54 1ibv h ASN 8 Ca 0.29 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1ibv h ASN 8 Cb 0.08 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1ibv h ASN 8 CO -0.14 0.55 0.00 0.29 -1.06 0.00 0.00 177.43 177.07 1ibv n LYS 9 N -4.45 0.08 0.00 0.81 5.02 -0.84 -0.68 118.16 118.10 1ibv n LYS 9 Ca 0.09 0.43 0.10 0.00 -2.02 0.00 0.00 58.31 56.91 1ibv n LYS 9 Cb 0.10 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 1ibv n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ibv n LEU 10 N -1.84 1.09 0.00 -0.35 4.77 -0.13 -4.94 117.00 115.60 1ibv n LEU 10 Ca 0.01 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1ibv n LEU 10 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ibv n LEU 10 CO 0.11 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1ibv n GLY 11 N 1.49 0.87 3.79 -0.72 0.00 0.14 -5.07 105.19 105.68 1ibv n GLY 11 Ca 0.05 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1ibv n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibv s VAL 12 N -2.00 4.74 -0.08 1.61 1.01 -0.78 -4.99 120.40 119.91 1ibv s VAL 12 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1ibv s VAL 12 Cb 0.00 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1ibv s VAL 12 CO 0.00 0.30 0.22 1.51 0.00 0.00 0.00 175.10 177.13 1ibv s ASP 13 N -1.91 -0.22 -0.41 3.32 1.47 -1.26 -2.63 116.67 115.03 1ibv s ASP 13 Ca 0.25 0.40 0.06 0.00 1.18 0.00 0.00 52.55 54.44 1ibv s ASP 13 Cb -0.12 0.44 0.69 0.00 -0.34 0.00 0.00 42.92 43.60 1ibv s ASP 13 CO 0.16 -0.11 1.88 0.54 0.68 0.00 0.00 175.17 178.33 1ibv n ARG 14 N 2.82 2.73 -2.65 2.11 1.74 -1.26 -3.11 116.66 119.03 1ibv n ARG 14 Ca -0.14 -3.04 -0.42 0.00 -0.77 0.00 0.00 57.85 53.49 1ibv n ARG 14 Cb 0.58 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 1ibv n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ibv s ILE 15 N -3.20 4.57 -0.40 0.55 1.01 -1.26 -4.36 121.20 118.10 1ibv s ILE 15 Ca 0.56 1.93 0.04 0.00 0.00 0.00 0.00 60.65 63.19 1ibv s ILE 15 Cb 0.47 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.86 1ibv s ILE 15 CO 0.12 0.20 0.43 0.00 0.00 0.00 0.00 174.94 175.68 1ibv s ALA 16 N 0.68 -0.34 -0.09 9.38 0.00 -1.25 -0.06 121.76 130.07 1ibv s ALA 16 Ca 0.52 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1ibv s ALA 16 Cb -0.24 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1ibv s ALA 16 CO 0.29 -2.13 -0.06 0.42 0.00 0.00 0.00 175.76 174.28 1ibv s ILE 17 N 1.06 3.73 -0.15 0.00 -1.09 0.15 -4.93 121.20 119.97 1ibv s ILE 17 Ca 0.22 -0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 58.06 1ibv s ILE 17 Cb -0.09 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1ibv s ILE 17 CO -0.06 0.58 0.24 -0.55 -1.23 0.00 0.00 174.94 173.91 1ibv s SER 18 N -0.53 6.40 0.00 3.58 0.15 -1.26 -0.64 113.70 121.40 1ibv s SER 18 Ca 0.08 0.47 0.12 0.00 0.70 0.00 0.00 55.95 57.32 1ibv s SER 18 Cb -0.12 -2.15 0.46 0.00 -1.71 0.00 0.00 66.02 62.51 1ibv s SER 18 CO 0.02 0.18 1.34 -0.81 1.20 0.00 0.00 173.24 175.16 1ibv n PRO 19 N 3.20 1.48 -2.57 5.44 -0.04 -1.26 -4.91 135.00 136.33 1ibv n PRO 19 Ca -0.14 -0.73 -0.23 0.00 -0.04 0.00 0.00 63.50 62.36 1ibv n PRO 19 Cb 0.52 -1.24 0.07 0.00 -0.04 0.00 0.00 33.50 32.81 1ibv n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ibv s TYR 20 N -1.78 2.33 -0.20 0.54 2.02 -1.26 -5.07 117.35 113.92 1ibv s TYR 20 Ca 0.21 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 1ibv s TYR 20 Cb 0.11 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.73 1ibv s TYR 20 CO 0.15 -1.28 0.33 0.21 -1.57 0.00 0.00 175.55 173.39 1ibv s LYS 21 N -4.97 4.16 0.00 -0.62 2.20 -1.26 -4.65 119.74 114.60 1ibv s LYS 21 Ca 0.61 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1ibv s LYS 21 Cb -0.08 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1ibv s LYS 21 CO 0.42 0.03 0.00 0.94 -0.36 0.00 0.00 175.35 176.37 1ibv n GLN 22 N 4.29 0.00 -2.41 4.03 7.27 -1.26 -4.93 117.38 124.37 1ibv n GLN 22 Ca -0.10 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.62 1ibv n GLN 22 Cb 0.51 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.14 1ibv n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ibv s TRP 23 N 0.00 2.88 0.52 3.69 0.51 -1.26 -5.08 118.94 120.21 1ibv s TRP 23 Ca 0.00 1.56 0.01 0.00 -2.12 0.00 0.00 56.10 55.55 1ibv s TRP 23 Cb 0.00 -3.14 0.02 0.00 -0.81 0.00 0.00 33.47 29.54 1ibv s TRP 23 CO 0.00 -1.10 0.75 0.95 -0.51 0.00 0.00 176.95 177.04 1ibv s THR 24 N -1.94 3.09 0.17 2.01 -4.23 -1.26 -4.65 115.64 108.83 1ibv s THR 24 Ca 0.69 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1ibv s THR 24 Cb -0.19 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 1ibv s THR 24 CO 0.23 -0.11 0.02 -0.13 -0.54 0.00 0.00 174.62 174.09 1ibv s ARG 25 N -4.71 1.10 0.40 3.99 0.52 -1.26 -5.07 118.95 113.92 1ibv s ARG 25 Ca 0.55 -1.54 -0.13 0.00 -0.52 0.00 0.00 55.73 54.09 1ibv s ARG 25 Cb -0.10 -0.15 -0.07 0.00 0.52 0.00 0.00 34.95 35.15 1ibv s ARG 25 CO 0.39 -0.18 0.80 0.20 0.02 0.00 0.00 175.30 176.53 1ibv s GLY 26 N -3.16 2.06 0.35 -3.53 0.00 -1.26 -5.01 107.32 96.76 1ibv s GLY 26 Ca 0.25 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.61 1ibv s GLY 26 CO 0.04 0.13 1.51 2.98 0.00 0.00 0.00 173.10 177.76 1ibv n TYR 27 N -1.13 2.90 0.00 1.90 9.36 -1.26 -2.23 117.16 126.71 1ibv n TYR 27 Ca 0.03 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1ibv n TYR 27 Cb 0.54 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1ibv n TYR 27 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1ibv n MET 28 N 0.95 0.00 -2.07 2.98 2.81 -1.26 -5.04 117.12 115.49 1ibv n MET 28 Ca 0.04 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 1ibv n MET 28 Cb 0.38 -0.92 -0.02 0.00 -0.71 0.00 0.00 33.22 31.95 1ibv n MET 28 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ibv s GLU 29 N -0.33 4.32 0.49 0.03 2.02 -0.95 -4.96 118.70 119.31 1ibv s GLU 29 Ca 0.00 2.27 -0.23 0.00 0.02 0.00 0.00 54.97 57.03 1ibv s GLU 29 Cb 0.00 -3.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.10 1ibv s GLU 29 CO 0.00 -0.25 1.27 -1.25 0.02 0.00 0.00 175.26 175.06 1ibv s PRO 30 N -1.74 3.54 0.00 0.39 0.04 -1.26 -3.12 135.00 132.85 1ibv s PRO 30 Ca 0.50 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1ibv s PRO 30 Cb -0.41 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1ibv s PRO 30 CO 0.54 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1ibv n GLY 31 N 0.60 3.25 3.76 0.56 0.00 -1.26 -5.04 105.19 107.06 1ibv n GLY 31 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ibv n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibv s ASN 32 N -0.27 5.69 -0.19 1.61 0.01 -1.18 -4.52 114.94 116.08 1ibv s ASN 32 Ca 0.00 2.46 -0.06 0.00 -0.71 0.00 0.00 52.86 54.55 1ibv s ASN 32 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1ibv s ASN 32 CO 0.00 -1.26 0.02 -0.63 -1.51 0.00 0.00 177.10 173.72 1ibv s ILE 33 N -1.49 4.25 0.00 0.60 1.01 0.19 -4.95 121.20 120.81 1ibv s ILE 33 Ca 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1ibv s ILE 33 Cb -0.32 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1ibv s ILE 33 CO 0.38 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.37 1ibv n GLY 34 N 3.94 2.10 0.70 6.18 0.00 -1.26 -0.68 105.19 116.17 1ibv n GLY 34 Ca -0.17 -2.05 0.04 0.00 0.00 0.00 0.00 46.02 43.84 1ibv n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ibv n ASN 35 N 0.00 1.87 -1.40 1.61 3.02 -1.03 -4.86 115.26 114.47 1ibv n ASN 35 Ca 0.00 -3.89 0.00 0.00 -0.03 0.00 0.00 54.58 50.66 1ibv n ASN 35 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1ibv n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibv n GLY 36 N -1.11 4.81 3.37 7.41 0.00 0.91 -4.69 105.19 115.88 1ibv n GLY 36 Ca 0.21 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1ibv n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibv s TYR 37 N -0.85 -0.30 0.03 1.61 -0.85 -1.26 -4.52 117.35 111.20 1ibv s TYR 37 Ca 0.00 0.02 0.07 0.00 -0.52 0.00 0.00 57.07 56.63 1ibv s TYR 37 Cb 0.00 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1ibv s TYR 37 CO 0.00 -0.77 -0.20 0.08 -1.52 0.00 0.00 175.55 173.14 1ibv s VAL 38 N -3.79 1.61 0.36 -3.49 1.01 -1.26 -4.93 120.40 109.91 1ibv s VAL 38 Ca 0.03 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1ibv s VAL 38 Cb 0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ibv s VAL 38 CO -0.12 0.26 0.19 0.28 0.00 0.00 0.00 175.10 175.72 1ibv s THR 39 N -0.71 0.30 0.35 3.92 -1.32 -1.26 -5.02 115.64 111.91 1ibv s THR 39 Ca 0.07 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.39 1ibv s THR 39 Cb -0.08 -2.42 0.06 0.00 -1.51 0.00 0.00 72.50 68.55 1ibv s THR 39 CO 0.01 0.00 0.85 -0.83 -2.21 0.00 0.00 174.62 172.45 1ibv s GLY 40 N -3.48 0.37 -0.17 6.08 0.00 -1.26 -5.16 107.32 103.69 1ibv s GLY 40 Ca 0.32 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 1ibv s GLY 40 CO 0.20 0.37 -0.11 1.08 0.00 0.00 0.00 173.10 174.64 1ibv s LEU 41 N -3.18 2.68 -0.05 0.66 1.02 -1.26 -5.10 118.68 113.45 1ibv s LEU 41 Ca 0.18 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 1ibv s LEU 41 Cb -0.05 -1.64 0.03 0.00 0.02 0.00 0.00 46.19 44.56 1ibv s LEU 41 CO 0.11 0.07 -0.00 -0.75 0.02 0.00 0.00 176.35 175.79 1ibv s LYS 42 N 0.92 0.50 -0.07 1.70 2.20 -1.26 -5.11 119.74 118.63 1ibv s LYS 42 Ca -0.02 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1ibv s LYS 42 Cb -0.15 -0.79 0.02 0.00 -1.51 0.00 0.00 37.83 35.41 1ibv s LYS 42 CO -0.01 -0.23 -0.05 0.14 -0.36 0.00 0.00 175.35 174.85 1ibv s VAL 43 N 1.60 0.69 0.15 4.02 -7.23 -1.26 -5.14 120.40 113.23 1ibv s VAL 43 Ca -0.01 -0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.84 1ibv s VAL 43 Cb -0.13 -0.73 0.04 0.00 0.56 0.00 0.00 36.38 36.12 1ibv s VAL 43 CO -0.03 0.29 0.48 -1.81 -0.31 0.00 0.00 175.10 173.71 1ibv s ASP 44 N 1.40 -0.33 0.02 4.85 1.11 -1.26 -5.06 116.67 117.39 1ibv s ASP 44 Ca -0.03 -0.26 0.03 0.00 0.18 0.00 0.00 52.55 52.47 1ibv s ASP 44 Cb -0.13 0.53 -0.01 0.00 1.07 0.00 0.00 42.92 44.37 1ibv s ASP 44 CO -0.03 -0.92 -0.08 0.00 1.18 0.00 0.00 175.17 175.32 1ibv s ALA 45 N -3.80 0.66 0.11 5.23 0.00 -1.26 -4.94 121.76 117.75 1ibv s ALA 45 Ca 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ibv s ALA 45 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1ibv s ALA 45 CO -0.11 0.11 -0.07 0.20 0.00 0.00 0.00 175.76 175.88 1ibv s GLY 46 N -0.72 0.84 0.35 0.00 0.00 -1.26 -4.67 107.32 101.85 1ibv s GLY 46 Ca -0.01 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.36 1ibv s GLY 46 CO 0.00 -1.49 0.06 -1.34 0.00 0.00 0.00 173.10 170.34 1ibv s VAL 47 N -3.56 1.13 -0.27 1.40 -7.23 -1.26 -4.84 120.40 105.77 1ibv s VAL 47 Ca 0.13 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.05 1ibv s VAL 47 Cb 0.05 -2.71 0.10 0.00 0.56 0.00 0.00 36.38 34.37 1ibv s VAL 47 CO -0.04 0.00 0.88 -0.60 -0.31 0.00 0.00 175.10 175.03 1ibv s ARG 48 N -3.86 0.68 0.17 4.82 3.52 -1.26 -4.57 118.95 118.44 1ibv s ARG 48 Ca 0.33 0.79 -0.31 0.00 -0.13 0.00 0.00 55.73 56.41 1ibv s ARG 48 Cb 0.08 0.33 -0.10 0.00 -1.56 0.00 0.00 34.95 33.70 1ibv s ARG 48 CO 0.15 -0.08 1.50 -0.51 -0.81 0.00 0.00 175.30 175.54 1ibv s ASP 49 N 0.27 6.66 0.38 -2.12 1.01 -1.26 -4.92 116.67 116.69 1ibv s ASP 49 Ca 0.01 2.55 -0.27 0.00 0.71 0.00 0.00 52.55 55.55 1ibv s ASP 49 Cb -0.05 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 1ibv s ASP 49 CO -0.02 -0.76 1.38 1.17 0.21 0.00 0.00 175.17 177.15 1ibv n LYS 50 N 3.67 2.34 -3.85 8.23 3.00 -1.26 -5.03 118.16 125.26 1ibv n LYS 50 Ca 0.12 0.82 -0.21 0.00 -0.00 0.00 0.00 58.31 59.05 1ibv n LYS 50 Cb 0.40 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 32.87 1ibv n LYS 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ibv n SER 51 N 0.47 1.84 -0.66 3.14 3.41 -1.26 -5.02 113.62 115.53 1ibv n SER 51 Ca 0.04 -2.62 0.03 0.00 -0.26 0.00 0.00 58.87 56.05 1ibv n SER 51 Cb 0.38 0.58 0.10 0.00 -0.26 0.00 0.00 64.21 65.02 1ibv n SER 51 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ibv n ASP 52 N -1.50 1.78 -4.01 4.04 5.75 -1.26 -4.63 116.55 116.71 1ibv n ASP 52 Ca -0.08 -2.14 -0.31 0.00 -0.01 0.00 0.00 54.79 52.24 1ibv n ASP 52 Cb 0.46 -0.37 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 1ibv n ASP 52 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ibv s ASN 53 N -0.56 4.70 0.19 -1.12 0.01 -1.26 -4.97 114.94 111.94 1ibv s ASN 53 Ca 0.15 -2.37 -0.11 0.00 -0.71 0.00 0.00 52.86 49.81 1ibv s ASN 53 Cb 0.10 -1.65 0.20 0.00 0.41 0.00 0.00 41.25 40.31 1ibv s ASN 53 CO 0.07 -0.35 1.77 0.78 -1.51 0.00 0.00 177.10 177.85 1ibv h ASN 54 N 7.36 0.30 0.82 -1.22 2.35 -2.00 -1.11 115.58 122.08 1ibv h ASN 54 Ca -0.05 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1ibv h ASN 54 Cb 0.99 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.36 1ibv h ASN 54 CO 0.58 0.20 -0.48 0.58 -1.65 0.00 0.00 177.43 176.66 1ibv h VAL 55 N 0.46 0.00 -0.88 2.81 2.07 -1.99 -1.51 116.25 117.21 1ibv h VAL 55 Ca 0.26 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.92 1ibv h VAL 55 Cb 0.25 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 1ibv h VAL 55 CO -0.23 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 177.86 1ibv h LEU 56 N -1.21 0.68 -0.98 2.57 3.38 -1.95 0.17 115.31 117.97 1ibv h LEU 56 Ca -0.11 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1ibv h LEU 56 Cb 0.96 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ibv h LEU 56 CO 0.13 0.35 0.03 0.44 0.09 0.00 0.00 178.44 179.48 1ibv h ASP 57 N 0.72 0.73 -0.19 -0.43 3.32 -0.98 -1.56 116.42 118.03 1ibv h ASP 57 Ca 0.44 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1ibv h ASP 57 Cb 0.65 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1ibv h ASP 57 CO -0.20 0.78 -0.05 1.23 -1.72 0.00 0.00 179.24 179.29 1ibv h GLY 58 N 0.96 0.41 0.14 2.75 0.00 0.31 -2.54 103.07 105.10 1ibv h GLY 58 Ca 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ibv h GLY 58 CO 0.01 0.30 -0.42 -2.22 0.00 0.00 0.00 176.54 174.22 1ibv h ILE 59 N 0.09 0.00 0.01 2.60 1.08 -0.61 0.17 117.51 120.85 1ibv h ILE 59 Ca 0.05 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1ibv h ILE 59 Cb 0.49 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1ibv h ILE 59 CO 0.02 0.00 -0.16 0.58 -0.69 0.00 0.00 178.15 177.90 1ibv h VAL 60 N -0.64 0.62 -0.96 1.67 2.07 -1.37 -1.58 116.25 116.07 1ibv h VAL 60 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ibv h VAL 60 Cb 0.62 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1ibv h VAL 60 CO -0.20 0.00 0.62 0.77 0.02 0.00 0.00 177.57 178.78 1ibv h SER 61 N -0.26 0.97 0.00 0.57 4.64 -1.31 0.49 113.55 118.64 1ibv h SER 61 Ca 0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ibv h SER 61 Cb 0.32 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ibv h SER 61 CO -0.15 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 1ibv n TYR 62 N -4.51 0.00 -0.04 4.77 9.36 0.59 -1.88 117.16 125.45 1ibv n TYR 62 Ca 0.15 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.31 1ibv n TYR 62 Cb 0.21 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.88 1ibv n TYR 62 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ibv n ASP 63 N -0.62 3.36 0.22 2.98 2.03 0.14 -3.98 116.55 120.68 1ibv n ASP 63 Ca 0.05 -0.04 0.08 0.00 0.52 0.00 0.00 54.79 55.40 1ibv n ASP 63 Cb 0.02 -0.07 0.52 0.00 -0.72 0.00 0.00 41.12 40.88 1ibv n ASP 63 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ibv h ARG 64 N 0.00 0.00 0.05 -0.67 3.08 -0.46 -1.53 114.38 114.86 1ibv h ARG 64 Ca -0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.60 1ibv h ARG 64 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.36 1ibv h ARG 64 CO -0.03 0.24 -1.09 0.00 -1.07 0.00 0.00 179.97 178.03 1ibv h ALA 65 N 1.76 0.18 -0.09 0.04 0.00 -1.59 -2.35 119.26 117.20 1ibv h ALA 65 Ca -0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 1ibv h ALA 65 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ibv h ALA 65 CO 0.03 0.77 -0.41 0.93 0.00 0.00 0.00 179.25 180.57 1ibv h GLU 66 N 0.26 0.19 -0.01 0.00 5.08 -1.58 -2.90 114.58 115.62 1ibv h GLU 66 Ca -0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ibv h GLU 66 Cb 1.75 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 1ibv h GLU 66 CO 0.20 0.58 -0.28 0.25 -1.00 0.00 0.00 179.01 178.75 1ibv n THR 67 N -4.03 0.00 -3.15 1.13 -2.24 -0.61 -1.87 114.28 103.51 1ibv n THR 67 Ca -0.02 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1ibv n THR 67 Cb 0.47 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1ibv n THR 67 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ibv s LYS 68 N -2.62 4.18 3.70 -0.78 2.20 -0.89 -4.74 119.74 120.79 1ibv s LYS 68 Ca 0.22 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1ibv s LYS 68 Cb 0.19 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1ibv s LYS 68 CO 0.55 0.39 0.00 0.09 -0.36 0.00 0.00 175.35 176.02 1ibv n ASN 69 N 0.64 0.00 -4.66 1.43 3.02 -1.26 -4.44 115.26 109.99 1ibv n ASN 69 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1ibv n ASN 69 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1ibv n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibv s ALA 70 N -1.00 3.61 -0.07 5.41 0.00 -1.26 -4.93 121.76 123.52 1ibv s ALA 70 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1ibv s ALA 70 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1ibv s ALA 70 CO 0.00 -1.42 1.01 -0.47 0.00 0.00 0.00 175.76 174.88 1ibv s TYR 71 N 4.04 3.54 -0.17 0.00 5.04 -1.26 -4.67 117.35 123.87 1ibv s TYR 71 Ca 0.77 1.61 0.20 0.00 -2.44 0.00 0.00 57.07 57.21 1ibv s TYR 71 Cb -0.36 -3.18 0.42 0.00 0.35 0.00 0.00 41.96 39.20 1ibv s TYR 71 CO 0.32 -0.21 1.18 0.44 -1.34 0.00 0.00 175.55 175.94 1ibv n ILE 72 N 4.37 0.58 0.00 3.14 -5.35 -0.78 -5.05 119.36 116.26 1ibv n ILE 72 Ca 0.08 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.79 1ibv n ILE 72 Cb 0.49 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1ibv n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ibv n GLY 73 N -0.33 -3.25 2.66 3.28 0.00 -1.24 -3.39 105.19 102.91 1ibv n GLY 73 Ca -0.00 0.66 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 1ibv n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ibv n GLN 74 N -1.85 5.35 -4.19 1.61 6.02 -1.26 -4.87 117.38 118.20 1ibv n GLN 74 Ca 0.00 -4.61 -0.32 0.00 -0.01 0.00 0.00 57.00 52.06 1ibv n GLN 74 Cb 0.00 -2.48 -0.08 0.00 1.02 0.00 0.00 30.24 28.70 1ibv n GLN 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ibv s ILE 75 N -4.09 4.35 -0.61 5.09 1.09 -1.22 -5.06 121.20 120.76 1ibv s ILE 75 Ca 0.39 -0.61 -0.19 0.00 -1.10 0.00 0.00 60.65 59.14 1ibv s ILE 75 Cb 0.18 -2.99 0.10 0.00 -1.06 0.00 0.00 42.46 38.69 1ibv s ILE 75 CO -0.11 0.31 0.75 0.20 -0.10 0.00 0.00 174.94 175.99 1ibv s ASN 76 N -1.79 6.18 -0.26 3.58 0.01 -1.26 -5.02 114.94 116.39 1ibv s ASN 76 Ca 0.22 -1.37 -0.28 0.00 -0.71 0.00 0.00 52.86 50.72 1ibv s ASN 76 Cb -0.12 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.23 1ibv s ASN 76 CO 0.13 -1.17 0.99 -0.32 -1.51 0.00 0.00 177.10 175.23 1ibv s MET 77 N 2.91 4.18 -0.01 -0.60 -2.45 -1.26 -5.04 119.30 117.03 1ibv s MET 77 Ca 0.13 1.17 -0.02 0.00 -1.25 0.00 0.00 55.69 55.72 1ibv s MET 77 Cb -0.23 -3.67 -0.04 0.00 1.25 0.00 0.00 34.83 32.14 1ibv s MET 77 CO 0.07 -0.67 0.15 0.99 1.05 0.00 0.00 175.02 176.61 1ibv s THR 78 N 3.21 5.21 -0.17 10.11 2.01 -1.26 -5.10 115.64 129.65 1ibv s THR 78 Ca 0.42 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 1ibv s THR 78 Cb -0.14 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ibv s THR 78 CO 0.09 0.33 0.06 -0.89 -0.69 0.00 0.00 174.62 173.51 1ibv s THR 79 N -1.28 4.74 -0.06 -0.82 2.01 -1.26 -5.08 115.64 113.88 1ibv s THR 79 Ca 0.26 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.25 1ibv s THR 79 Cb -0.12 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1ibv s THR 79 CO 0.17 0.48 -0.22 0.00 -0.69 0.00 0.00 174.62 174.36 1ibv s ALA 80 N 0.24 2.31 0.00 7.40 0.00 -1.26 -5.35 121.76 125.10 1ibv s ALA 80 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1ibv s ALA 80 Cb -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1ibv s ALA 80 CO 0.00 0.43 0.02 -1.13 0.00 0.00 0.00 175.76 175.09