#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibw h GLU 2 N 0.00 0.00 0.15 4.33 4.57 -2.07 0.99 114.58 122.54 1ibw h GLU 2 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ibw h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ibw h GLU 2 CO 0.00 0.00 -0.07 1.25 -1.18 0.00 0.00 179.01 179.01 1ibw h LEU 3 N 0.00 -0.17 -1.02 1.64 5.85 -2.07 -3.30 115.31 116.25 1ibw h LEU 3 Ca 0.11 -0.26 0.30 0.00 0.84 0.00 0.00 57.88 58.87 1ibw h LEU 3 Cb 1.78 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.72 1ibw h LEU 3 CO -0.00 0.40 0.58 0.44 -0.34 0.00 0.00 178.44 179.52 1ibw h ASP 4 N -0.98 0.55 -0.45 1.25 3.32 -1.22 0.78 116.42 119.67 1ibw h ASP 4 Ca -0.02 0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.33 1ibw h ASP 4 Cb 0.42 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1ibw h ASP 4 CO 0.03 -0.07 0.42 0.00 -1.72 0.00 0.00 179.24 177.90 1ibw h ALA 5 N 1.81 2.23 0.00 3.45 0.00 -1.61 0.38 119.26 125.52 1ibw h ALA 5 Ca 0.71 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.35 1ibw h ALA 5 Cb 1.58 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1ibw h ALA 5 CO -0.56 -0.65 -1.54 0.87 0.00 0.00 0.00 179.25 177.37 1ibw h LYS 6 N 0.00 0.00 -0.01 0.00 1.57 0.47 -3.37 116.57 115.22 1ibw h LYS 6 Ca 0.21 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1ibw h LYS 6 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1ibw h LYS 6 CO -0.00 0.51 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.62 1ibw h LEU 7 N 0.00 0.64 -2.26 2.94 -0.00 -0.17 -3.18 115.31 113.28 1ibw h LEU 7 Ca -0.22 -0.74 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 1ibw h LEU 7 Cb 1.89 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1ibw h LEU 7 CO 0.08 1.30 0.18 0.78 -0.00 0.00 0.00 178.44 180.77 1ibw h ASN 8 N 0.05 0.00 0.74 -0.43 -0.26 -0.06 0.66 115.58 116.28 1ibw h ASN 8 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1ibw h ASN 8 Cb 1.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1ibw h ASN 8 CO 0.14 0.00 -0.56 0.29 -1.06 0.00 0.00 177.43 176.24 1ibw n LYS 9 N -2.85 0.18 0.00 0.81 5.02 -1.20 -3.41 118.16 116.70 1ibw n LYS 9 Ca -0.02 0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.42 1ibw n LYS 9 Cb 0.23 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1ibw n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ibw n LEU 10 N -1.87 0.87 0.00 -0.35 4.77 0.22 -4.94 117.00 115.70 1ibw n LEU 10 Ca 0.04 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1ibw n LEU 10 Cb 0.40 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ibw n LEU 10 CO 0.35 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1ibw n GLY 11 N 1.48 1.02 3.78 -0.72 0.00 -0.51 -5.08 105.19 105.16 1ibw n GLY 11 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1ibw n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibw s VAL 12 N -2.00 4.82 0.03 1.61 1.01 -0.41 -4.96 120.40 120.50 1ibw s VAL 12 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1ibw s VAL 12 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1ibw s VAL 12 CO 0.00 0.46 -0.03 1.51 0.00 0.00 0.00 175.10 177.05 1ibw s ASP 13 N -1.41 0.32 -0.29 3.32 1.47 -1.26 -2.19 116.67 116.63 1ibw s ASP 13 Ca 0.19 -0.66 0.09 0.00 1.18 0.00 0.00 52.55 53.35 1ibw s ASP 13 Cb -0.12 0.14 0.47 0.00 -0.34 0.00 0.00 42.92 43.06 1ibw s ASP 13 CO 0.09 -0.40 1.18 0.54 0.68 0.00 0.00 175.17 177.26 1ibw n ARG 14 N 1.10 3.34 -3.25 2.11 1.74 -1.26 -3.74 116.66 116.69 1ibw n ARG 14 Ca -0.21 -4.08 -0.39 0.00 -0.77 0.00 0.00 57.85 52.41 1ibw n ARG 14 Cb 0.57 -2.18 -0.06 0.00 -1.02 0.00 0.00 32.46 29.77 1ibw n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ibw s ILE 15 N -4.50 4.96 -0.30 0.55 1.01 -1.26 -4.61 121.20 117.05 1ibw s ILE 15 Ca 0.47 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 62.27 1ibw s ILE 15 Cb 0.40 -3.89 0.13 0.00 0.01 0.00 0.00 42.46 39.10 1ibw s ILE 15 CO 0.03 0.42 0.25 0.00 0.00 0.00 0.00 174.94 175.64 1ibw s ALA 16 N -0.19 -0.01 0.07 9.38 0.00 -1.23 -0.82 121.76 128.96 1ibw s ALA 16 Ca 0.29 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1ibw s ALA 16 Cb -0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1ibw s ALA 16 CO 0.16 -1.77 -0.24 0.42 0.00 0.00 0.00 175.76 174.32 1ibw s ILE 17 N 2.07 2.36 -0.22 0.00 -1.09 0.16 -4.95 121.20 119.54 1ibw s ILE 17 Ca 0.11 -1.46 -0.05 0.00 -2.23 0.00 0.00 60.65 57.01 1ibw s ILE 17 Cb -0.15 -1.98 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 1ibw s ILE 17 CO -0.28 0.26 0.01 -0.55 -1.23 0.00 0.00 174.94 173.15 1ibw s SER 18 N -1.58 4.78 0.00 3.58 0.15 -1.26 -0.82 113.70 118.55 1ibw s SER 18 Ca 0.13 -0.25 0.15 0.00 0.70 0.00 0.00 55.95 56.68 1ibw s SER 18 Cb -0.10 -1.83 0.74 0.00 -1.71 0.00 0.00 66.02 63.12 1ibw s SER 18 CO 0.04 0.02 1.40 -0.81 1.20 0.00 0.00 173.24 175.10 1ibw n PRO 19 N 4.53 0.21 -2.33 5.44 -0.04 -1.26 -4.78 135.00 136.77 1ibw n PRO 19 Ca -0.17 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 1ibw n PRO 19 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1ibw n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ibw s TYR 20 N -2.56 3.53 -0.27 0.54 1.51 -1.26 -5.03 117.35 113.81 1ibw s TYR 20 Ca 0.14 1.23 -0.20 0.00 -1.01 0.00 0.00 57.07 57.22 1ibw s TYR 20 Cb 0.10 -2.63 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 1ibw s TYR 20 CO 0.22 -0.42 0.64 0.21 -1.11 0.00 0.00 175.55 175.09 1ibw s LYS 21 N -4.52 4.06 0.00 -0.62 2.20 -1.26 -4.45 119.74 115.16 1ibw s LYS 21 Ca 0.54 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1ibw s LYS 21 Cb -0.10 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1ibw s LYS 21 CO 0.41 -0.46 0.00 0.94 -0.36 0.00 0.00 175.35 175.89 1ibw n GLN 22 N 5.77 0.00 -3.07 4.03 7.27 -1.26 -4.97 117.38 125.15 1ibw n GLN 22 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.72 1ibw n GLN 22 Cb 0.49 -0.27 -0.06 0.00 2.41 0.00 0.00 30.24 32.80 1ibw n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ibw s TRP 23 N 0.00 3.51 0.47 3.69 0.51 -1.26 -5.08 118.94 120.77 1ibw s TRP 23 Ca 0.00 1.36 -0.03 0.00 -2.12 0.00 0.00 56.10 55.31 1ibw s TRP 23 Cb 0.00 -2.62 -0.02 0.00 -0.81 0.00 0.00 33.47 30.02 1ibw s TRP 23 CO 0.00 0.19 0.74 0.95 -0.51 0.00 0.00 176.95 178.32 1ibw s THR 24 N -1.78 4.56 0.08 2.01 -4.23 -1.26 -4.65 115.64 110.38 1ibw s THR 24 Ca 0.50 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1ibw s THR 24 Cb -0.13 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1ibw s THR 24 CO 0.19 -0.64 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.42 1ibw s ARG 25 N -4.68 0.75 0.32 3.99 0.52 -1.26 -5.07 118.95 113.52 1ibw s ARG 25 Ca 0.47 -1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 54.27 1ibw s ARG 25 Cb -0.10 -0.30 -0.10 0.00 0.52 0.00 0.00 34.95 34.97 1ibw s ARG 25 CO 0.42 0.02 1.17 0.20 0.02 0.00 0.00 175.30 177.13 1ibw s GLY 26 N -2.50 3.00 0.42 -3.53 0.00 -1.26 -4.97 107.32 98.48 1ibw s GLY 26 Ca 0.04 1.00 -0.26 0.00 0.00 0.00 0.00 44.72 45.50 1ibw s GLY 26 CO -0.02 1.60 1.41 -0.47 0.00 0.00 0.00 173.10 175.61 1ibw s TYR 27 N -1.22 2.60 0.00 1.90 5.04 -1.26 -1.90 117.35 122.50 1ibw s TYR 27 Ca 0.49 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 1ibw s TYR 27 Cb -0.33 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.10 1ibw s TYR 27 CO 0.43 -2.71 0.00 -1.33 -1.34 0.00 0.00 175.55 170.60 1ibw n MET 28 N 0.08 0.00 -1.76 4.97 2.81 -1.26 -5.02 117.12 116.94 1ibw n MET 28 Ca 0.04 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 1ibw n MET 28 Cb 0.42 -0.57 0.01 0.00 -0.71 0.00 0.00 33.22 32.36 1ibw n MET 28 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1ibw n GLU 29 N -1.81 2.38 -1.09 0.03 1.02 -0.80 -4.94 120.64 115.43 1ibw n GLU 29 Ca 0.00 0.84 -0.31 0.00 -0.02 0.00 0.00 57.16 57.67 1ibw n GLU 29 Cb 0.00 -2.61 0.12 0.00 -0.02 0.00 0.00 31.44 28.93 1ibw n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ibw s PRO 30 N -2.26 1.85 0.00 3.49 0.04 -1.26 -3.45 135.00 133.40 1ibw s PRO 30 Ca 0.58 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ibw s PRO 30 Cb -0.47 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1ibw s PRO 30 CO 0.60 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1ibw n GLY 31 N -0.66 2.01 3.82 0.56 0.00 -1.26 -5.01 105.19 104.66 1ibw n GLY 31 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ibw n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ibw s ASN 32 N -3.48 6.43 -0.12 1.61 0.01 -1.22 -4.32 114.94 113.85 1ibw s ASN 32 Ca 0.00 1.70 -0.00 0.00 -0.71 0.00 0.00 52.86 53.84 1ibw s ASN 32 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 1ibw s ASN 32 CO 0.00 -0.72 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.14 1ibw s ILE 33 N -2.42 3.31 0.00 0.60 1.01 -0.00 -4.93 121.20 118.76 1ibw s ILE 33 Ca 0.62 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1ibw s ILE 33 Cb -0.12 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1ibw s ILE 33 CO 0.28 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.36 1ibw n GLY 34 N 3.27 2.42 1.51 6.18 0.00 -1.26 0.40 105.19 117.72 1ibw n GLY 34 Ca -0.18 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 1ibw n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ibw n ASN 35 N 0.00 3.34 -0.75 1.61 3.02 -0.64 -4.73 115.26 117.11 1ibw n ASN 35 Ca 0.00 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1ibw n ASN 35 Cb 0.00 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1ibw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ibw n GLY 36 N -1.07 6.24 3.47 7.41 0.00 0.00 -4.74 105.19 116.51 1ibw n GLY 36 Ca 0.41 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 1ibw n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibw s TYR 37 N 0.04 -0.58 -0.08 1.61 -0.85 -1.26 -4.64 117.35 111.59 1ibw s TYR 37 Ca 0.00 0.95 0.02 0.00 -0.52 0.00 0.00 57.07 57.52 1ibw s TYR 37 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 1ibw s TYR 37 CO 0.00 -0.60 -0.14 0.08 -1.52 0.00 0.00 175.55 173.38 1ibw s VAL 38 N -1.40 3.06 0.23 -3.49 1.01 -1.26 -5.00 120.40 113.55 1ibw s VAL 38 Ca -0.10 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1ibw s VAL 38 Cb -0.01 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1ibw s VAL 38 CO 0.08 0.57 -0.09 0.28 0.00 0.00 0.00 175.10 175.93 1ibw s THR 39 N -0.33 1.57 0.31 3.92 -1.32 -1.26 -5.05 115.64 113.47 1ibw s THR 39 Ca 0.03 -2.14 -0.03 0.00 -1.21 0.00 0.00 61.69 58.34 1ibw s THR 39 Cb -0.13 -2.23 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1ibw s THR 39 CO 0.02 -0.45 0.41 -0.83 -2.21 0.00 0.00 174.62 171.56 1ibw s GLY 40 N -3.35 1.42 -0.28 6.08 0.00 -1.26 -5.15 107.32 104.77 1ibw s GLY 40 Ca 0.26 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 1ibw s GLY 40 CO 0.09 -1.04 -0.02 1.08 0.00 0.00 0.00 173.10 173.20 1ibw s LEU 41 N -3.21 3.68 -0.13 0.66 1.02 -1.26 -5.09 118.68 114.36 1ibw s LEU 41 Ca 0.31 -1.17 0.01 0.00 0.02 0.00 0.00 54.13 53.30 1ibw s LEU 41 Cb 0.01 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1ibw s LEU 41 CO 0.18 -0.22 -0.14 -0.75 0.02 0.00 0.00 176.35 175.44 1ibw s LYS 42 N 1.26 2.20 -0.06 1.70 2.20 -1.26 -5.10 119.74 120.68 1ibw s LYS 42 Ca -0.04 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1ibw s LYS 42 Cb -0.19 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1ibw s LYS 42 CO -0.02 -0.16 -0.09 0.14 -0.36 0.00 0.00 175.35 174.85 1ibw s VAL 43 N 1.29 0.90 0.28 4.02 -7.23 -1.26 -5.13 120.40 113.27 1ibw s VAL 43 Ca -0.00 -0.33 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 1ibw s VAL 43 Cb -0.14 -0.86 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1ibw s VAL 43 CO -0.07 0.31 0.82 -1.81 -0.31 0.00 0.00 175.10 174.04 1ibw s ASP 44 N 0.81 -0.13 -0.05 4.85 -0.00 -1.26 -5.04 116.67 115.85 1ibw s ASP 44 Ca -0.12 -0.76 -0.22 0.00 -0.00 0.00 0.00 52.55 51.45 1ibw s ASP 44 Cb -0.15 0.70 0.05 0.00 -0.00 0.00 0.00 42.92 43.52 1ibw s ASP 44 CO 0.02 -1.35 0.49 0.00 -0.00 0.00 0.00 175.17 174.33 1ibw s ALA 45 N -3.10 -1.25 0.06 5.23 0.00 -1.26 -5.03 121.76 116.42 1ibw s ALA 45 Ca 0.14 0.88 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 1ibw s ALA 45 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ibw s ALA 45 CO 0.07 -0.30 0.03 0.20 0.00 0.00 0.00 175.76 175.76 1ibw s GLY 46 N -1.07 0.39 0.12 0.00 0.00 -1.26 -4.76 107.32 100.74 1ibw s GLY 46 Ca -0.11 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.61 1ibw s GLY 46 CO 0.06 -1.18 -0.14 -1.34 0.00 0.00 0.00 173.10 170.50 1ibw s VAL 47 N -3.91 1.32 -0.03 1.40 -7.23 -1.26 -4.79 120.40 105.91 1ibw s VAL 47 Ca 0.07 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.46 1ibw s VAL 47 Cb 0.07 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.48 1ibw s VAL 47 CO -0.10 -0.43 0.13 -0.60 -0.31 0.00 0.00 175.10 173.79 1ibw s ARG 48 N -2.71 0.30 -0.17 4.82 6.06 -1.26 -4.81 118.95 121.18 1ibw s ARG 48 Ca 0.09 -0.09 -0.29 0.00 -2.50 0.00 0.00 55.73 52.94 1ibw s ARG 48 Cb -0.05 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 35.05 1ibw s ARG 48 CO 0.03 -0.06 1.84 -0.51 -2.50 0.00 0.00 175.30 174.10 1ibw s ASP 49 N -0.60 6.14 -0.48 -2.12 1.11 -1.26 -4.87 116.67 114.59 1ibw s ASP 49 Ca -0.07 1.88 -0.37 0.00 0.18 0.00 0.00 52.55 54.17 1ibw s ASP 49 Cb -0.04 -2.53 -0.15 0.00 1.07 0.00 0.00 42.92 41.27 1ibw s ASP 49 CO 0.01 -1.41 2.24 1.17 1.18 0.00 0.00 175.17 178.36 1ibw n LYS 50 N 7.94 0.61 -0.49 8.23 3.00 -1.26 -4.97 118.16 131.23 1ibw n LYS 50 Ca 0.22 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1ibw n LYS 50 Cb 0.44 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.37 1ibw n LYS 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ibw n SER 51 N 9.54 0.00 0.02 3.14 3.41 -1.26 -5.03 113.62 123.44 1ibw n SER 51 Ca 0.48 -0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 1ibw n SER 51 Cb 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 1ibw n SER 51 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ibw h ASP 52 N 0.00 0.16 -0.61 4.04 2.03 -2.05 -3.43 116.42 116.56 1ibw h ASP 52 Ca 0.00 -0.27 -0.34 0.00 -0.73 0.00 0.00 57.03 55.69 1ibw h ASP 52 Cb 0.00 -0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 38.40 1ibw h ASP 52 CO 0.00 1.23 0.99 0.54 -1.03 0.00 0.00 179.24 180.97 1ibw s ASN 53 N -6.57 5.20 0.16 4.15 4.22 -1.26 -4.86 114.94 115.99 1ibw s ASN 53 Ca -0.07 -1.28 -0.26 0.00 -2.14 0.00 0.00 52.86 49.11 1ibw s ASN 53 Cb 0.08 -2.58 0.02 0.00 1.28 0.00 0.00 41.25 40.05 1ibw s ASN 53 CO 0.83 -2.81 1.57 0.78 -2.04 0.00 0.00 177.10 175.43 1ibw h ASN 54 N 10.28 -1.51 -0.14 3.54 2.35 -1.99 0.29 115.58 128.41 1ibw h ASN 54 Ca 0.18 0.24 0.02 0.00 -0.55 0.00 0.00 56.30 56.19 1ibw h ASN 54 Cb 0.97 0.67 -0.04 0.00 0.05 0.00 0.00 38.32 39.97 1ibw h ASN 54 CO 1.24 -0.35 -0.33 0.58 -1.65 0.00 0.00 177.43 176.92 1ibw h VAL 55 N -0.26 0.00 -0.98 2.81 2.07 -1.99 0.12 116.25 118.01 1ibw h VAL 55 Ca 0.16 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.90 1ibw h VAL 55 Cb 0.57 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 1ibw h VAL 55 CO -0.66 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.49 1ibw h LEU 56 N -0.31 0.57 -0.65 2.57 3.38 -1.85 0.78 115.31 119.81 1ibw h LEU 56 Ca 0.03 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ibw h LEU 56 Cb 0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ibw h LEU 56 CO -0.29 0.19 0.31 0.44 0.09 0.00 0.00 178.44 179.17 1ibw h ASP 57 N 0.55 0.85 -0.15 -0.43 3.32 0.70 -1.67 116.42 119.60 1ibw h ASP 57 Ca 0.55 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 1ibw h ASP 57 Cb 1.15 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1ibw h ASP 57 CO -0.29 0.75 -0.11 1.23 -1.72 0.00 0.00 179.24 179.10 1ibw h GLY 58 N 0.90 0.37 0.07 2.75 0.00 0.29 -1.59 103.07 105.85 1ibw h GLY 58 Ca 0.22 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.30 1ibw h GLY 58 CO -0.03 0.32 -0.06 -2.22 0.00 0.00 0.00 176.54 174.56 1ibw h ILE 59 N -0.02 0.55 -0.24 2.60 1.08 -0.43 0.68 117.51 121.73 1ibw h ILE 59 Ca 0.03 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1ibw h ILE 59 Cb 0.62 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1ibw h ILE 59 CO 0.03 0.01 -0.10 0.58 -0.69 0.00 0.00 178.15 177.98 1ibw h VAL 60 N 0.06 1.30 -0.63 1.67 2.07 -1.28 0.69 116.25 120.14 1ibw h VAL 60 Ca 0.25 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1ibw h VAL 60 Cb 0.39 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1ibw h VAL 60 CO -0.47 0.36 0.35 0.77 0.02 0.00 0.00 177.57 178.60 1ibw h SER 61 N 0.21 0.53 -0.22 0.57 4.64 -0.79 0.19 113.55 118.68 1ibw h SER 61 Ca 0.05 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1ibw h SER 61 Cb 0.59 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1ibw h SER 61 CO 0.03 0.35 0.10 0.22 -0.87 0.00 0.00 176.83 176.67 1ibw h TYR 62 N 0.66 0.19 -0.40 4.77 3.20 -0.76 0.84 116.97 125.46 1ibw h TYR 62 Ca 0.27 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1ibw h TYR 62 Cb 0.14 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1ibw h TYR 62 CO -0.08 0.11 0.25 0.22 -1.64 0.00 0.00 178.16 177.02 1ibw h ASP 63 N 0.23 0.42 0.36 -2.11 3.58 0.02 0.11 116.42 119.01 1ibw h ASP 63 Ca 0.09 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1ibw h ASP 63 Cb 0.03 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1ibw h ASP 63 CO -0.07 0.30 -0.27 0.03 -2.88 0.00 0.00 179.24 176.35 1ibw h ARG 64 N 0.51 0.00 -0.02 0.28 3.08 -0.15 -1.72 114.38 116.36 1ibw h ARG 64 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1ibw h ARG 64 Cb -0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ibw h ARG 64 CO -0.06 0.27 -0.36 0.00 -1.07 0.00 0.00 179.97 178.76 1ibw h ALA 65 N 1.73 0.08 -0.41 0.04 0.00 0.30 -2.32 119.26 118.67 1ibw h ALA 65 Ca -0.00 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1ibw h ALA 65 Cb 0.52 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ibw h ALA 65 CO 0.04 0.18 0.14 0.93 0.00 0.00 0.00 179.25 180.54 1ibw h GLU 66 N -0.28 0.30 0.00 0.00 5.08 -0.61 -2.01 114.58 117.05 1ibw h GLU 66 Ca -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1ibw h GLU 66 Cb 1.07 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ibw h GLU 66 CO 0.07 0.20 -0.13 1.79 -1.00 0.00 0.00 179.01 179.94 1ibw h THR 67 N 0.31 0.65 -3.93 1.13 1.35 -1.37 -3.09 112.91 107.95 1ibw h THR 67 Ca 0.19 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.98 1ibw h THR 67 Cb 0.17 1.35 0.06 0.00 -1.73 0.00 0.00 68.15 67.99 1ibw h THR 67 CO -0.19 0.13 0.54 -0.75 -0.25 0.00 0.00 175.52 174.99 1ibw s LYS 68 N -4.25 4.11 3.74 4.72 2.20 -0.76 -4.62 119.74 124.88 1ibw s LYS 68 Ca -0.03 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1ibw s LYS 68 Cb 0.13 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1ibw s LYS 68 CO 0.60 -0.30 0.00 0.09 -0.36 0.00 0.00 175.35 175.38 1ibw n ASN 69 N 0.23 0.00 -4.58 1.43 3.02 -1.26 -4.28 115.26 109.82 1ibw n ASN 69 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1ibw n ASN 69 Cb 0.45 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1ibw n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibw s ALA 70 N -1.00 2.29 -0.23 5.41 0.00 -1.26 -4.88 121.76 122.09 1ibw s ALA 70 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 1ibw s ALA 70 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 23.12 18.92 1ibw s ALA 70 CO 0.00 -3.48 1.42 -0.47 0.00 0.00 0.00 175.76 173.23 1ibw s TYR 71 N 9.73 2.49 -0.39 0.00 5.04 -1.26 -4.80 117.35 128.16 1ibw s TYR 71 Ca 0.96 0.75 0.09 0.00 -2.44 0.00 0.00 57.07 56.43 1ibw s TYR 71 Cb -0.25 -3.85 0.44 0.00 0.35 0.00 0.00 41.96 38.65 1ibw s TYR 71 CO 0.31 -2.24 1.09 0.44 -1.34 0.00 0.00 175.55 173.81 1ibw n ILE 72 N 6.05 2.08 0.00 3.14 -5.35 -1.17 -5.05 119.36 119.06 1ibw n ILE 72 Ca 0.16 -4.38 0.00 0.00 -0.27 0.00 0.00 62.75 58.26 1ibw n ILE 72 Cb 0.46 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 1ibw n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ibw n GLY 73 N -0.44 0.00 2.77 3.28 0.00 -1.26 -3.85 105.19 105.69 1ibw n GLY 73 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 1ibw n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ibw n GLN 74 N 0.00 2.52 -4.53 1.61 6.02 -1.26 -4.88 117.38 116.85 1ibw n GLN 74 Ca 0.00 -2.24 -0.34 0.00 -0.01 0.00 0.00 57.00 54.41 1ibw n GLN 74 Cb 0.00 -3.05 -0.11 0.00 1.02 0.00 0.00 30.24 28.11 1ibw n GLN 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ibw s ILE 75 N 3.59 3.92 -0.45 5.09 1.09 -1.25 -5.06 121.20 128.13 1ibw s ILE 75 Ca 0.52 -0.40 -0.23 0.00 -1.10 0.00 0.00 60.65 59.45 1ibw s ILE 75 Cb 0.14 -2.62 0.03 0.00 -1.06 0.00 0.00 42.46 38.95 1ibw s ILE 75 CO -0.02 0.60 0.78 0.20 -0.10 0.00 0.00 174.94 176.40 1ibw s ASN 76 N -0.80 6.41 -0.27 3.58 0.01 -1.26 -5.01 114.94 117.59 1ibw s ASN 76 Ca 0.12 -0.11 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 1ibw s ASN 76 Cb -0.11 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1ibw s ASN 76 CO 0.02 -0.91 0.32 -0.32 -1.51 0.00 0.00 177.10 174.69 1ibw s MET 77 N 3.28 4.00 0.45 -0.60 -2.45 -1.26 -5.07 119.30 117.65 1ibw s MET 77 Ca 0.30 -0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.65 1ibw s MET 77 Cb -0.12 -3.66 -0.02 0.00 1.25 0.00 0.00 34.83 32.29 1ibw s MET 77 CO 0.23 -0.24 0.70 0.99 1.05 0.00 0.00 175.02 177.74 1ibw s THR 78 N 1.96 4.44 -0.09 10.11 2.01 -1.26 -5.09 115.64 127.72 1ibw s THR 78 Ca 0.12 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ibw s THR 78 Cb -0.16 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1ibw s THR 78 CO 0.10 -0.53 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.43 1ibw s THR 79 N -2.60 1.62 0.11 -0.82 2.01 -1.26 -5.12 115.64 109.58 1ibw s THR 79 Ca 0.47 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.79 1ibw s THR 79 Cb -0.10 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1ibw s THR 79 CO 0.40 0.46 -0.20 0.00 -0.69 0.00 0.00 174.62 174.59 1ibw s ALA 80 N 0.54 1.80 0.00 7.40 0.00 -1.26 -5.36 121.76 124.88 1ibw s ALA 80 Ca -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1ibw s ALA 80 Cb -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1ibw s ALA 80 CO 0.06 0.34 0.00 -1.13 0.00 0.00 0.00 175.76 175.02