#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 -0.23 4.33 4.57 -2.07 0.81 114.58 121.99 1ibv h GLU 2 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1ibv h GLU 2 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ibv h GLU 2 CO 0.00 0.00 -0.37 1.25 -1.18 0.00 0.00 179.01 178.71 1ibv h LEU 3 N 0.00 0.72 -1.29 1.64 5.85 -2.06 -3.02 115.31 117.16 1ibv h LEU 3 Ca 0.00 -0.52 0.11 0.00 0.84 0.00 0.00 57.88 58.31 1ibv h LEU 3 Cb 0.43 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1ibv h LEU 3 CO -0.00 1.10 0.55 0.44 -0.34 0.00 0.00 178.44 180.20 1ibv h ASP 4 N 0.36 0.70 -0.72 1.25 3.32 -1.26 -0.19 116.42 119.87 1ibv h ASP 4 Ca 0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1ibv h ASP 4 Cb 0.96 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.33 1ibv h ASP 4 CO 0.08 0.40 0.44 0.00 -1.72 0.00 0.00 179.24 178.44 1ibv h ALA 5 N 1.59 0.97 -0.38 3.45 0.00 -1.51 0.31 119.26 123.69 1ibv h ALA 5 Ca 0.40 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 1ibv h ALA 5 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ibv h ALA 5 CO -0.17 0.17 -0.37 0.87 0.00 0.00 0.00 179.25 179.75 1ibv h LYS 6 N 0.82 0.92 -0.41 0.00 1.57 -1.11 -3.07 116.57 115.29 1ibv h LYS 6 Ca 0.31 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1ibv h LYS 6 Cb 0.11 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1ibv h LYS 6 CO -0.15 1.14 0.23 -0.07 -0.57 0.00 0.00 179.45 180.02 1ibv h LEU 7 N 0.73 0.51 -1.00 2.94 4.07 0.13 -2.71 115.31 119.99 1ibv h LEU 7 Ca 0.06 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.03 1ibv h LEU 7 Cb 0.97 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.50 1ibv h LEU 7 CO 0.09 0.45 0.64 0.78 -1.08 0.00 0.00 178.44 179.32 1ibv h ASN 8 N 0.53 0.98 0.19 -0.43 -0.26 -0.11 0.58 115.58 117.05 1ibv h ASN 8 Ca 0.14 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1ibv h ASN 8 Cb 0.05 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1ibv h ASN 8 CO -0.02 0.57 0.00 0.29 -1.06 0.00 0.00 177.43 177.21 1ibv n LYS 9 N -4.57 0.05 0.00 0.81 5.02 -1.02 -0.12 118.16 118.32 1ibv n LYS 9 Ca 0.17 0.47 0.10 0.00 -2.02 0.00 0.00 58.31 57.03 1ibv n LYS 9 Cb 0.27 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.74 1.56 0.00 -0.35 4.77 0.13 -4.94 117.00 116.43 1ibv n LEU 10 Ca 0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1ibv n LEU 10 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ibv n LEU 10 CO 0.07 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1ibv n GLY 11 N 1.43 0.81 3.89 -0.72 0.00 0.82 -5.07 105.19 106.36 1ibv n GLY 11 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.11 5.37 -0.07 1.61 1.01 -0.81 -4.97 120.40 120.43 1ibv s VAL 12 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ibv s VAL 12 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1ibv s VAL 12 CO 0.00 0.33 0.21 1.51 0.00 0.00 0.00 175.10 177.14 1ibv s ASP 13 N -1.92 -0.19 -0.39 3.32 1.47 -1.26 -2.45 116.67 115.24 1ibv s ASP 13 Ca 0.27 0.34 0.06 0.00 1.18 0.00 0.00 52.55 54.41 1ibv s ASP 13 Cb -0.13 0.40 0.70 0.00 -0.34 0.00 0.00 42.92 43.55 1ibv s ASP 13 CO 0.18 -0.12 1.86 0.54 0.68 0.00 0.00 175.17 178.31 1ibv n ARG 14 N 2.73 2.90 -2.57 2.11 1.74 -1.26 -3.04 116.66 119.27 1ibv n ARG 14 Ca -0.14 -2.99 -0.42 0.00 -0.77 0.00 0.00 57.85 53.54 1ibv n ARG 14 Cb 0.58 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.10 4.37 -0.40 0.55 1.01 -1.26 -4.38 121.20 117.99 1ibv s ILE 15 Ca 0.55 1.77 0.04 0.00 0.00 0.00 0.00 60.65 63.01 1ibv s ILE 15 Cb 0.45 -4.13 0.16 0.00 0.01 0.00 0.00 42.46 38.95 1ibv s ILE 15 CO 0.12 0.18 0.42 0.00 0.00 0.00 0.00 174.94 175.65 1ibv s ALA 16 N 0.73 -0.28 -0.07 9.38 0.00 -1.25 0.22 121.76 130.49 1ibv s ALA 16 Ca 0.54 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1ibv s ALA 16 Cb -0.26 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1ibv s ALA 16 CO 0.30 -2.13 -0.08 0.42 0.00 0.00 0.00 175.76 174.26 1ibv s ILE 17 N 1.06 3.56 -0.17 0.00 -1.09 -0.25 -4.93 121.20 119.37 1ibv s ILE 17 Ca 0.22 -0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1ibv s ILE 17 Cb -0.10 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1ibv s ILE 17 CO -0.06 0.59 0.10 -0.55 -1.23 0.00 0.00 174.94 173.79 1ibv s SER 18 N -0.67 6.02 0.00 3.58 0.15 -1.26 -0.98 113.70 120.54 1ibv s SER 18 Ca 0.10 0.23 0.18 0.00 0.70 0.00 0.00 55.95 57.16 1ibv s SER 18 Cb -0.11 -2.01 0.82 0.00 -1.71 0.00 0.00 66.02 63.01 1ibv s SER 18 CO 0.02 0.24 1.56 -0.81 1.20 0.00 0.00 173.24 175.45 1ibv n PRO 19 N 3.13 1.39 -2.47 5.44 -0.04 -1.26 -4.91 135.00 136.28 1ibv n PRO 19 Ca -0.17 -0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 62.46 1ibv n PRO 19 Cb 0.53 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.87 2.73 -0.18 0.54 2.02 -1.26 -5.07 117.35 114.26 1ibv s TYR 20 Ca 0.28 0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.93 1ibv s TYR 20 Cb 0.14 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 1ibv s TYR 20 CO 0.22 -1.17 0.43 0.21 -1.57 0.00 0.00 175.55 173.67 1ibv s LYS 21 N -4.98 4.22 0.00 -0.62 2.20 -1.26 -4.63 119.74 114.67 1ibv s LYS 21 Ca 0.59 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1ibv s LYS 21 Cb -0.10 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1ibv s LYS 21 CO 0.41 0.00 0.00 0.94 -0.36 0.00 0.00 175.35 176.35 1ibv n GLN 22 N 4.29 0.00 -2.06 4.03 7.27 -1.26 -4.93 117.38 124.72 1ibv n GLN 22 Ca -0.08 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.66 1ibv n GLN 22 Cb 0.51 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.17 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 0.45 3.69 0.51 -1.26 -5.08 118.94 120.12 1ibv s TRP 23 Ca 0.00 1.53 0.04 0.00 -2.12 0.00 0.00 56.10 55.55 1ibv s TRP 23 Cb 0.00 -3.08 0.01 0.00 -0.81 0.00 0.00 33.47 29.59 1ibv s TRP 23 CO 0.00 -1.25 0.63 0.95 -0.51 0.00 0.00 176.95 176.77 1ibv s THR 24 N -2.31 3.27 0.17 2.01 -4.23 -1.26 -4.65 115.64 108.64 1ibv s THR 24 Ca 0.66 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1ibv s THR 24 Cb -0.18 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1ibv s THR 24 CO 0.35 -0.09 0.04 -0.13 -0.54 0.00 0.00 174.62 174.25 1ibv s ARG 25 N -4.48 1.08 0.41 3.99 0.52 -1.26 -5.07 118.95 114.14 1ibv s ARG 25 Ca 0.53 -1.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.08 1ibv s ARG 25 Cb -0.10 -0.07 -0.08 0.00 0.52 0.00 0.00 34.95 35.22 1ibv s ARG 25 CO 0.35 -0.20 0.81 0.20 0.02 0.00 0.00 175.30 176.48 1ibv s GLY 26 N -3.14 2.09 0.37 -3.53 0.00 -1.26 -5.01 107.32 96.83 1ibv s GLY 26 Ca 0.26 -0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 1ibv s GLY 26 CO 0.04 0.18 1.48 2.98 0.00 0.00 0.00 173.10 177.78 1ibv n TYR 27 N -1.08 2.91 -0.01 1.90 9.36 -1.26 -2.18 117.16 126.80 1ibv n TYR 27 Ca 0.04 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.70 1ibv n TYR 27 Cb 0.54 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 0.59 0.00 -2.24 2.98 2.81 -1.26 -5.04 117.12 114.96 1ibv n MET 28 Ca 0.02 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 1ibv n MET 28 Cb 0.38 -1.16 -0.02 0.00 -0.71 0.00 0.00 33.22 31.71 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 -0.23 4.24 0.43 0.03 2.02 -0.93 -4.97 118.70 119.30 1ibv s GLU 29 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 54.97 56.73 1ibv s GLU 29 Cb 0.00 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.26 1ibv s GLU 29 CO 0.00 -0.21 1.27 -1.25 0.02 0.00 0.00 175.26 175.09 1ibv s PRO 30 N -1.99 3.82 0.00 0.39 0.04 -1.26 -3.20 135.00 132.80 1ibv s PRO 30 Ca 0.52 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1ibv s PRO 30 Cb -0.34 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1ibv s PRO 30 CO 0.44 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1ibv n GLY 31 N 0.63 3.43 3.77 0.56 0.00 -1.26 -5.05 105.19 107.26 1ibv n GLY 31 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.73 6.03 -0.23 1.61 0.01 -1.19 -4.50 114.94 115.95 1ibv s ASN 32 Ca 0.00 2.33 -0.06 0.00 -0.71 0.00 0.00 52.86 54.42 1ibv s ASN 32 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1ibv s ASN 32 CO 0.00 -1.01 0.04 -0.63 -1.51 0.00 0.00 177.10 173.99 1ibv s ILE 33 N -1.55 4.16 0.00 0.60 1.01 -0.15 -4.96 121.20 120.31 1ibv s ILE 33 Ca 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1ibv s ILE 33 Cb -0.29 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1ibv s ILE 33 CO 0.35 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1ibv n GLY 34 N 4.58 2.58 0.64 6.18 0.00 -1.26 -1.09 105.19 116.81 1ibv n GLY 34 Ca -0.17 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.83 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 1.68 -1.02 1.61 3.02 -1.00 -4.86 115.26 114.70 1ibv n ASN 35 Ca 0.00 -3.83 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 1ibv n ASN 35 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 -1.05 5.64 3.42 7.41 0.00 0.13 -4.68 105.19 116.06 1ibv n GLY 36 Ca 0.18 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.33 -0.51 0.04 1.61 -0.85 -1.26 -4.57 117.35 111.48 1ibv s TYR 37 Ca 0.00 0.41 0.08 0.00 -0.52 0.00 0.00 57.07 57.04 1ibv s TYR 37 Cb 0.00 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1ibv s TYR 37 CO 0.00 -0.78 -0.24 0.08 -1.52 0.00 0.00 175.55 173.09 1ibv s VAL 38 N -3.25 1.93 0.34 -3.49 1.01 -1.26 -4.94 120.40 110.74 1ibv s VAL 38 Ca -0.01 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1ibv s VAL 38 Cb -0.01 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1ibv s VAL 38 CO -0.08 0.32 0.19 0.28 0.00 0.00 0.00 175.10 175.80 1ibv s THR 39 N -0.78 0.30 0.36 3.92 -1.32 -1.26 -5.02 115.64 111.85 1ibv s THR 39 Ca 0.10 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.41 1ibv s THR 39 Cb -0.09 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1ibv s THR 39 CO 0.02 0.00 0.81 -0.83 -2.21 0.00 0.00 174.62 172.41 1ibv s GLY 40 N -3.43 0.33 -0.18 6.08 0.00 -1.26 -5.16 107.32 103.70 1ibv s GLY 40 Ca 0.34 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 1ibv s GLY 40 CO 0.20 -0.03 -0.09 1.08 0.00 0.00 0.00 173.10 174.25 1ibv s LEU 41 N -3.10 2.78 -0.05 0.66 1.02 -1.26 -5.10 118.68 113.63 1ibv s LEU 41 Ca 0.16 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 1ibv s LEU 41 Cb -0.05 -1.67 0.03 0.00 0.02 0.00 0.00 46.19 44.52 1ibv s LEU 41 CO 0.11 0.07 0.02 -0.75 0.02 0.00 0.00 176.35 175.81 1ibv s LYS 42 N 0.95 0.26 -0.08 1.70 2.20 -1.26 -5.11 119.74 118.40 1ibv s LYS 42 Ca -0.01 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1ibv s LYS 42 Cb -0.15 -0.64 0.02 0.00 -1.51 0.00 0.00 37.83 35.56 1ibv s LYS 42 CO -0.00 -0.25 -0.06 0.14 -0.36 0.00 0.00 175.35 174.82 1ibv s VAL 43 N 1.71 0.75 0.15 4.02 -7.23 -1.26 -5.14 120.40 113.40 1ibv s VAL 43 Ca -0.00 -0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.82 1ibv s VAL 43 Cb -0.13 -0.79 0.04 0.00 0.56 0.00 0.00 36.38 36.06 1ibv s VAL 43 CO -0.03 0.30 0.46 -1.81 -0.31 0.00 0.00 175.10 173.70 1ibv s ASP 44 N 1.37 -0.28 0.04 4.85 1.11 -1.26 -5.05 116.67 117.45 1ibv s ASP 44 Ca -0.03 -0.34 0.03 0.00 0.18 0.00 0.00 52.55 52.39 1ibv s ASP 44 Cb -0.14 0.52 -0.02 0.00 1.07 0.00 0.00 42.92 44.35 1ibv s ASP 44 CO -0.03 -0.92 -0.08 0.00 1.18 0.00 0.00 175.17 175.31 1ibv s ALA 45 N -3.82 0.65 0.09 5.23 0.00 -1.26 -4.96 121.76 117.69 1ibv s ALA 45 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1ibv s ALA 45 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1ibv s ALA 45 CO -0.09 0.03 -0.01 0.20 0.00 0.00 0.00 175.76 175.89 1ibv s GLY 46 N -1.35 0.72 0.29 0.00 0.00 -1.26 -4.62 107.32 101.10 1ibv s GLY 46 Ca -0.07 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.35 1ibv s GLY 46 CO 0.01 -1.37 0.08 -1.34 0.00 0.00 0.00 173.10 170.47 1ibv s VAL 47 N -3.87 0.90 -0.21 1.40 -7.23 -1.26 -4.85 120.40 105.27 1ibv s VAL 47 Ca 0.14 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.04 1ibv s VAL 47 Cb 0.07 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.37 1ibv s VAL 47 CO -0.05 -0.00 0.77 -0.60 -0.31 0.00 0.00 175.10 174.90 1ibv s ARG 48 N -3.96 0.84 0.17 4.82 3.52 -1.26 -4.61 118.95 118.48 1ibv s ARG 48 Ca 0.37 0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 56.36 1ibv s ARG 48 Cb 0.08 0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 33.79 1ibv s ARG 48 CO 0.15 -0.16 1.40 -0.51 -0.81 0.00 0.00 175.30 175.36 1ibv s ASP 49 N -0.15 6.78 0.38 -2.12 1.01 -1.26 -4.92 116.67 116.39 1ibv s ASP 49 Ca -0.03 2.45 -0.27 0.00 0.71 0.00 0.00 52.55 55.41 1ibv s ASP 49 Cb -0.03 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 1ibv s ASP 49 CO 0.03 -0.65 1.36 1.17 0.21 0.00 0.00 175.17 177.29 1ibv n LYS 50 N 3.25 2.28 -4.29 8.23 3.00 -1.26 -5.02 118.16 124.34 1ibv n LYS 50 Ca 0.09 0.80 -0.25 0.00 -0.00 0.00 0.00 58.31 58.95 1ibv n LYS 50 Cb 0.42 -2.48 -0.07 0.00 0.00 0.00 0.00 35.03 32.90 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 1.74 -0.37 3.14 3.41 -1.26 -5.01 113.62 115.73 1ibv n SER 51 Ca 0.04 -3.03 0.02 0.00 -0.26 0.00 0.00 58.87 55.64 1ibv n SER 51 Cb 0.38 0.80 0.06 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.49 0.99 -4.05 4.04 5.75 -1.26 -4.62 116.55 115.91 1ibv n ASP 52 Ca -0.09 -2.04 -0.33 0.00 -0.01 0.00 0.00 54.79 52.32 1ibv n ASP 52 Cb 0.57 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 40.33 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 -0.79 4.94 0.16 -1.12 0.01 -1.26 -4.96 114.94 111.92 1ibv s ASN 53 Ca 0.09 -2.27 -0.15 0.00 -0.71 0.00 0.00 52.86 49.82 1ibv s ASN 53 Cb 0.05 -1.72 0.10 0.00 0.41 0.00 0.00 41.25 40.09 1ibv s ASN 53 CO 0.05 -0.42 1.74 0.78 -1.51 0.00 0.00 177.10 177.74 1ibv h ASN 54 N 7.60 0.12 0.68 -1.22 2.35 -2.00 -0.96 115.58 122.15 1ibv h ASN 54 Ca -0.07 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1ibv h ASN 54 Cb 1.01 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1ibv h ASN 54 CO 0.62 0.10 -0.47 0.58 -1.65 0.00 0.00 177.43 176.61 1ibv h VAL 55 N 0.28 0.06 -0.85 2.81 2.07 -1.98 -1.29 116.25 117.35 1ibv h VAL 55 Ca 0.19 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.83 1ibv h VAL 55 Cb 0.19 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1ibv h VAL 55 CO -0.20 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.87 1ibv h LEU 56 N -1.10 0.66 -0.92 2.57 3.38 -1.96 0.10 115.31 118.05 1ibv h LEU 56 Ca -0.09 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1ibv h LEU 56 Cb 0.90 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1ibv h LEU 56 CO 0.05 0.37 0.00 0.44 0.09 0.00 0.00 178.44 179.39 1ibv h ASP 57 N 0.72 0.76 -0.34 -0.43 3.32 -0.83 -1.78 116.42 117.83 1ibv h ASP 57 Ca 0.41 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1ibv h ASP 57 Cb 0.58 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ibv h ASP 57 CO -0.17 0.83 -0.13 1.23 -1.72 0.00 0.00 179.24 179.27 1ibv h GLY 58 N 0.97 0.75 0.39 2.75 0.00 0.29 -2.47 103.07 105.76 1ibv h GLY 58 Ca 0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1ibv h GLY 58 CO 0.02 0.60 -0.42 -2.22 0.00 0.00 0.00 176.54 174.52 1ibv h ILE 59 N 0.48 0.00 -0.11 2.60 1.08 -0.57 0.39 117.51 121.36 1ibv h ILE 59 Ca 0.08 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 1ibv h ILE 59 Cb 0.66 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 1ibv h ILE 59 CO 0.04 0.00 -0.07 0.58 -0.69 0.00 0.00 178.15 178.02 1ibv h VAL 60 N -0.82 0.79 -0.96 1.67 2.07 -1.41 -1.66 116.25 115.93 1ibv h VAL 60 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1ibv h VAL 60 Cb 0.72 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1ibv h VAL 60 CO -0.07 0.00 0.61 0.77 0.02 0.00 0.00 177.57 178.91 1ibv h SER 61 N -0.06 0.99 0.00 0.57 4.64 -1.38 0.25 113.55 118.55 1ibv h SER 61 Ca 0.07 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1ibv h SER 61 Cb 0.16 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ibv h SER 61 CO -0.16 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.45 1ibv n TYR 62 N -4.53 0.00 -0.03 4.77 9.36 0.12 -1.85 117.16 125.00 1ibv n TYR 62 Ca 0.14 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.32 1ibv n TYR 62 Cb 0.16 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.63 3.54 0.19 2.98 2.03 0.59 -3.96 116.55 121.30 1ibv n ASP 63 Ca 0.05 -0.02 0.05 0.00 0.52 0.00 0.00 54.79 55.39 1ibv n ASP 63 Cb 0.02 0.15 0.38 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.04 -0.67 3.08 -0.42 -1.81 114.38 114.52 1ibv h ARG 64 Ca -0.15 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.65 1ibv h ARG 64 Cb 1.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.34 1ibv h ARG 64 CO -0.01 0.37 -0.95 0.00 -1.07 0.00 0.00 179.97 178.31 1ibv h ALA 65 N 1.63 0.23 -0.04 0.04 0.00 -1.58 -2.30 119.26 117.24 1ibv h ALA 65 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1ibv h ALA 65 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ibv h ALA 65 CO 0.05 0.71 -0.39 0.93 0.00 0.00 0.00 179.25 180.54 1ibv h GLU 66 N 0.41 0.08 -0.01 0.00 5.08 -1.62 -2.84 114.58 115.69 1ibv h GLU 66 Ca -0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ibv h GLU 66 Cb 1.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1ibv h GLU 66 CO 0.18 0.46 -0.31 0.25 -1.00 0.00 0.00 179.01 178.60 1ibv n THR 67 N -4.06 0.00 -3.18 1.13 -2.24 -0.71 -1.91 114.28 103.32 1ibv n THR 67 Ca -0.02 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1ibv n THR 67 Cb 0.44 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.63 4.25 4.82 -0.78 2.20 -0.87 -4.73 119.74 122.01 1ibv s LYS 68 Ca 0.21 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1ibv s LYS 68 Cb 0.19 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1ibv s LYS 68 CO 0.56 0.52 0.00 0.09 -0.36 0.00 0.00 175.35 176.17 1ibv n ASN 69 N 1.23 0.00 -4.64 1.43 3.02 -1.26 -4.48 115.26 110.55 1ibv n ASN 69 Ca -0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 1ibv n ASN 69 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 3.41 -0.04 5.41 0.00 -1.26 -4.93 121.76 123.35 1ibv s ALA 70 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1ibv s ALA 70 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1ibv s ALA 70 CO 0.00 -1.75 1.12 -0.47 0.00 0.00 0.00 175.76 174.66 1ibv s TYR 71 N 4.93 3.39 -0.23 0.00 5.04 -1.26 -4.69 117.35 124.52 1ibv s TYR 71 Ca 0.78 1.40 0.20 0.00 -2.44 0.00 0.00 57.07 57.01 1ibv s TYR 71 Cb -0.32 -3.32 0.45 0.00 0.35 0.00 0.00 41.96 39.12 1ibv s TYR 71 CO 0.32 -0.84 1.21 0.44 -1.34 0.00 0.00 175.55 175.34 1ibv n ILE 72 N 4.36 0.75 0.00 3.14 -5.35 -0.80 -5.05 119.36 116.41 1ibv n ILE 72 Ca 0.09 -2.09 0.00 0.00 -0.27 0.00 0.00 62.75 60.49 1ibv n ILE 72 Cb 0.48 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 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 -0.63 -3.54 2.61 3.28 0.00 -1.24 -3.50 105.19 102.16 1ibv n GLY 73 Ca -0.00 0.71 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.33 5.04 -4.22 1.61 6.02 -1.26 -4.88 117.38 118.37 1ibv n GLN 74 Ca 0.00 -4.20 -0.32 0.00 -0.01 0.00 0.00 57.00 52.47 1ibv n GLN 74 Cb 0.00 -2.54 -0.08 0.00 1.02 0.00 0.00 30.24 28.63 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 -2.97 4.27 -0.58 5.09 1.09 -1.23 -5.06 121.20 121.81 1ibv s ILE 75 Ca 0.44 -0.62 -0.19 0.00 -1.10 0.00 0.00 60.65 59.18 1ibv s ILE 75 Cb 0.18 -2.94 0.09 0.00 -1.06 0.00 0.00 42.46 38.73 1ibv s ILE 75 CO -0.10 0.33 0.72 0.20 -0.10 0.00 0.00 174.94 175.98 1ibv s ASN 76 N -1.72 6.19 -0.23 3.58 0.01 -1.26 -5.02 114.94 116.49 1ibv s ASN 76 Ca 0.21 -1.26 -0.26 0.00 -0.71 0.00 0.00 52.86 50.85 1ibv s ASN 76 Cb -0.12 -2.31 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 1ibv s ASN 76 CO 0.12 -1.10 0.89 -0.32 -1.51 0.00 0.00 177.10 175.18 1ibv s MET 77 N 2.83 4.22 0.02 -0.60 1.75 -1.26 -5.04 119.30 121.22 1ibv s MET 77 Ca 0.14 1.07 -0.01 0.00 -1.25 0.00 0.00 55.69 55.64 1ibv s MET 77 Cb -0.22 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 33.78 1ibv s MET 77 CO 0.08 -0.52 0.15 0.99 -0.65 0.00 0.00 175.02 175.07 1ibv s THR 78 N 2.83 5.12 -0.15 10.11 2.01 -1.26 -5.10 115.64 129.20 1ibv s THR 78 Ca 0.38 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1ibv s THR 78 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ibv s THR 78 CO 0.08 0.26 0.03 -0.89 -0.69 0.00 0.00 174.62 173.41 1ibv s THR 79 N -1.34 4.50 -0.08 -0.82 2.01 -1.26 -5.09 115.64 113.56 1ibv s THR 79 Ca 0.28 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1ibv s THR 79 Cb -0.12 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1ibv s THR 79 CO 0.20 0.50 -0.23 0.00 -0.69 0.00 0.00 174.62 174.41 1ibv s ALA 80 N 0.08 2.25 0.00 7.40 0.00 -1.26 -5.35 121.76 124.87 1ibv s ALA 80 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1ibv s ALA 80 Cb -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1ibv s ALA 80 CO 0.01 0.36 0.13 -1.13 0.00 0.00 0.00 175.76 175.13