#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 0.24 4.33 4.57 -2.07 0.98 114.58 122.62 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 -0.11 1.25 -1.18 0.00 0.00 179.01 178.97 1ibw h LEU 3 N 0.00 -0.27 -1.16 1.64 5.85 -2.07 -3.27 115.31 116.03 1ibw h LEU 3 Ca 0.23 -0.20 0.31 0.00 0.84 0.00 0.00 57.88 59.07 1ibw h LEU 3 Cb 1.96 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.93 1ibw h LEU 3 CO -0.00 0.24 0.65 0.44 -0.34 0.00 0.00 178.44 179.43 1ibw h ASP 4 N -0.98 0.48 -0.47 1.25 3.32 -1.23 0.69 116.42 119.49 1ibw h ASP 4 Ca -0.03 0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1ibw h ASP 4 Cb 0.45 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1ibw h ASP 4 CO 0.05 -0.05 0.37 0.00 -1.72 0.00 0.00 179.24 177.90 1ibw h ALA 5 N 1.73 2.36 0.00 3.45 0.00 -1.58 0.25 119.26 125.46 1ibw h ALA 5 Ca 0.70 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 55.33 1ibw h ALA 5 Cb 1.71 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1ibw h ALA 5 CO -0.47 -0.61 -1.48 0.87 0.00 0.00 0.00 179.25 177.55 1ibw h LYS 6 N 0.00 0.00 -0.05 0.00 1.57 0.29 -3.37 116.57 115.01 1ibw h LYS 6 Ca 0.22 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.81 1ibw h LYS 6 Cb 0.96 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.29 1ibw h LYS 6 CO -0.00 0.61 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.72 1ibw h LEU 7 N 0.00 0.71 -2.46 2.94 -0.00 -0.55 -3.18 115.31 112.77 1ibw h LEU 7 Ca -0.20 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 1ibw h LEU 7 Cb 1.92 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 42.36 1ibw h LEU 7 CO 0.09 1.31 0.18 0.78 -0.00 0.00 0.00 178.44 180.79 1ibw h ASN 8 N 0.17 0.00 0.87 -0.43 -0.26 -0.27 0.55 115.58 116.22 1ibw h ASN 8 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1ibw h ASN 8 Cb 1.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.63 1ibw h ASN 8 CO 0.14 0.00 -0.51 0.29 -1.06 0.00 0.00 177.43 176.29 1ibw n LYS 9 N -3.02 0.23 0.00 0.81 5.02 -1.20 -3.33 118.16 116.67 1ibw n LYS 9 Ca -0.02 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 1ibw n LYS 9 Cb 0.24 -1.66 -0.04 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 -2.00 0.75 0.00 -0.35 4.77 0.18 -4.94 117.00 115.41 1ibw n LEU 10 Ca 0.04 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1ibw n LEU 10 Cb 0.42 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1ibw n LEU 10 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1ibw n GLY 11 N 1.45 1.06 3.75 -0.72 0.00 -0.56 -5.08 105.19 105.09 1ibw n GLY 11 Ca 0.03 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 4.62 0.04 1.61 1.01 -0.45 -4.96 120.40 120.27 1ibw s VAL 12 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ibw s VAL 12 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1ibw s VAL 12 CO 0.00 0.46 -0.04 1.51 0.00 0.00 0.00 175.10 177.03 1ibw s ASP 13 N -1.36 0.51 -0.26 3.32 1.47 -1.26 -2.37 116.67 116.70 1ibw s ASP 13 Ca 0.19 -0.73 0.10 0.00 1.18 0.00 0.00 52.55 53.28 1ibw s ASP 13 Cb -0.12 0.12 0.46 0.00 -0.34 0.00 0.00 42.92 43.05 1ibw s ASP 13 CO 0.09 -0.41 1.19 0.54 0.68 0.00 0.00 175.17 177.25 1ibw n ARG 14 N 0.90 2.94 -3.13 2.11 1.74 -1.26 -3.81 116.66 116.15 1ibw n ARG 14 Ca -0.19 -3.88 -0.39 0.00 -0.77 0.00 0.00 57.85 52.62 1ibw n ARG 14 Cb 0.58 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 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 -4.13 4.92 -0.31 0.55 1.01 -1.26 -4.57 121.20 117.40 1ibw s ILE 15 Ca 0.45 1.36 -0.01 0.00 0.00 0.00 0.00 60.65 62.45 1ibw s ILE 15 Cb 0.39 -3.99 0.13 0.00 0.01 0.00 0.00 42.46 39.00 1ibw s ILE 15 CO 0.01 0.36 0.24 0.00 0.00 0.00 0.00 174.94 175.55 1ibw s ALA 16 N 0.11 0.10 0.05 9.38 0.00 -1.23 -1.05 121.76 129.12 1ibw s ALA 16 Ca 0.34 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1ibw s ALA 16 Cb -0.18 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1ibw s ALA 16 CO 0.18 -1.82 -0.22 0.42 0.00 0.00 0.00 175.76 174.33 1ibw s ILE 17 N 1.94 2.52 -0.23 0.00 -1.09 0.19 -4.94 121.20 119.58 1ibw s ILE 17 Ca 0.12 -1.30 -0.06 0.00 -2.23 0.00 0.00 60.65 57.18 1ibw s ILE 17 Cb -0.16 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1ibw s ILE 17 CO -0.25 0.33 0.03 -0.55 -1.23 0.00 0.00 174.94 173.28 1ibw s SER 18 N -1.40 4.94 0.00 3.58 0.15 -1.26 -0.44 113.70 119.28 1ibw s SER 18 Ca 0.13 -0.22 0.15 0.00 0.70 0.00 0.00 55.95 56.71 1ibw s SER 18 Cb -0.10 -1.87 0.77 0.00 -1.71 0.00 0.00 66.02 63.11 1ibw s SER 18 CO 0.04 0.00 1.40 -0.81 1.20 0.00 0.00 173.24 175.07 1ibw n PRO 19 N 4.68 0.24 -2.13 5.44 -0.04 -1.26 -4.78 135.00 137.15 1ibw n PRO 19 Ca -0.17 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 1ibw n PRO 19 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.50 3.59 -0.30 0.54 1.51 -1.26 -5.03 117.35 113.90 1ibw s TYR 20 Ca 0.15 1.20 -0.19 0.00 -1.01 0.00 0.00 57.07 57.22 1ibw s TYR 20 Cb 0.10 -2.63 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 1ibw s TYR 20 CO 0.22 -0.54 0.59 0.21 -1.11 0.00 0.00 175.55 174.91 1ibw s LYS 21 N -4.91 3.90 0.00 -0.62 2.20 -1.26 -4.47 119.74 114.58 1ibw s LYS 21 Ca 0.54 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1ibw s LYS 21 Cb -0.11 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1ibw s LYS 21 CO 0.49 -0.53 0.00 0.94 -0.36 0.00 0.00 175.35 175.89 1ibw n GLN 22 N 5.78 0.00 -3.09 4.03 7.27 -1.26 -4.98 117.38 125.13 1ibw n GLN 22 Ca -0.02 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.71 1ibw n GLN 22 Cb 0.49 -0.21 -0.06 0.00 2.41 0.00 0.00 30.24 32.87 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 3.49 0.41 3.69 0.51 -1.26 -5.08 118.94 120.70 1ibw s TRP 23 Ca 0.00 1.33 -0.04 0.00 -2.12 0.00 0.00 56.10 55.27 1ibw s TRP 23 Cb 0.00 -2.60 -0.04 0.00 -0.81 0.00 0.00 33.47 30.02 1ibw s TRP 23 CO 0.00 0.18 0.68 0.95 -0.51 0.00 0.00 176.95 178.25 1ibw s THR 24 N -1.80 4.97 0.12 2.01 -4.23 -1.26 -4.64 115.64 110.81 1ibw s THR 24 Ca 0.50 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 1ibw s THR 24 Cb -0.13 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1ibw s THR 24 CO 0.19 -0.66 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.38 1ibw s ARG 25 N -4.37 0.95 0.31 3.99 0.52 -1.26 -5.08 118.95 114.01 1ibw s ARG 25 Ca 0.45 -1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 54.07 1ibw s ARG 25 Cb -0.10 -0.57 -0.09 0.00 0.52 0.00 0.00 34.95 34.71 1ibw s ARG 25 CO 0.39 0.08 1.10 0.20 0.02 0.00 0.00 175.30 177.08 1ibw s GLY 26 N -2.82 3.00 0.42 -3.53 0.00 -1.26 -4.97 107.32 98.16 1ibw s GLY 26 Ca 0.11 0.88 -0.26 0.00 0.00 0.00 0.00 44.72 45.45 1ibw s GLY 26 CO -0.00 1.45 1.44 -0.47 0.00 0.00 0.00 173.10 175.51 1ibw s TYR 27 N -1.26 2.54 0.00 1.90 5.04 -1.26 -1.99 117.35 122.32 1ibw s TYR 27 Ca 0.48 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 1ibw s TYR 27 Cb -0.30 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1ibw s TYR 27 CO 0.39 -2.87 0.00 -1.33 -1.34 0.00 0.00 175.55 170.40 1ibw n MET 28 N 0.08 0.00 -1.77 4.97 2.81 -1.26 -5.02 117.12 116.92 1ibw n MET 28 Ca 0.03 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 1ibw n MET 28 Cb 0.41 -0.48 0.01 0.00 -0.71 0.00 0.00 33.22 32.45 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 -1.65 2.51 -1.09 0.03 1.02 -0.84 -4.94 120.64 115.68 1ibw n GLU 29 Ca 0.00 0.89 -0.31 0.00 -0.02 0.00 0.00 57.16 57.71 1ibw n GLU 29 Cb 0.00 -2.66 0.12 0.00 -0.02 0.00 0.00 31.44 28.87 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 -3.51 135.00 133.35 1ibw s PRO 30 Ca 0.57 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1ibw s PRO 30 Cb -0.46 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ibw s PRO 30 CO 0.61 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1ibw n GLY 31 N -0.67 2.02 3.83 0.56 0.00 -1.26 -5.01 105.19 104.66 1ibw n GLY 31 Ca 0.10 0.00 -0.32 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 -3.51 6.49 -0.11 1.61 0.01 -1.23 -4.29 114.94 113.92 1ibw s ASN 32 Ca 0.00 1.65 0.01 0.00 -0.71 0.00 0.00 52.86 53.81 1ibw s ASN 32 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 1ibw s ASN 32 CO 0.00 -0.68 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.16 1ibw s ILE 33 N -2.50 3.12 0.00 0.60 1.01 0.42 -4.93 121.20 118.93 1ibw s ILE 33 Ca 0.61 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1ibw s ILE 33 Cb -0.11 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1ibw s ILE 33 CO 0.29 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.38 1ibw n GLY 34 N 3.21 2.33 1.55 6.18 0.00 -1.26 0.53 105.19 117.74 1ibw n GLY 34 Ca -0.18 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 3.36 -0.78 1.61 3.02 -0.75 -4.75 115.26 116.98 1ibw n ASN 35 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1ibw n ASN 35 Cb 0.00 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 -1.08 6.18 3.47 7.41 0.00 -0.22 -4.75 105.19 116.21 1ibw n GLY 36 Ca 0.42 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 -0.58 -0.06 1.61 -0.85 -1.26 -4.63 117.35 111.57 1ibw s TYR 37 Ca 0.00 0.99 0.03 0.00 -0.52 0.00 0.00 57.07 57.57 1ibw s TYR 37 Cb 0.00 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1ibw s TYR 37 CO 0.00 -0.57 -0.15 0.08 -1.52 0.00 0.00 175.55 173.39 1ibw s VAL 38 N -1.21 3.01 0.21 -3.49 1.01 -1.26 -5.00 120.40 113.66 1ibw s VAL 38 Ca -0.11 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1ibw s VAL 38 Cb -0.01 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1ibw s VAL 38 CO 0.09 0.58 -0.07 0.28 0.00 0.00 0.00 175.10 175.98 1ibw s THR 39 N -0.52 1.28 0.35 3.92 -1.32 -1.26 -5.05 115.64 113.05 1ibw s THR 39 Ca 0.07 -2.09 -0.02 0.00 -1.21 0.00 0.00 61.69 58.45 1ibw s THR 39 Cb -0.12 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1ibw s THR 39 CO 0.01 -0.50 0.48 -0.83 -2.21 0.00 0.00 174.62 171.57 1ibw s GLY 40 N -3.28 1.57 -0.28 6.08 0.00 -1.26 -5.15 107.32 105.00 1ibw s GLY 40 Ca 0.24 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1ibw s GLY 40 CO 0.06 -1.03 -0.05 1.08 0.00 0.00 0.00 173.10 173.16 1ibw s LEU 41 N -3.26 3.69 -0.14 0.66 1.02 -1.26 -5.08 118.68 114.31 1ibw s LEU 41 Ca 0.31 -1.33 0.01 0.00 0.02 0.00 0.00 54.13 53.14 1ibw s LEU 41 Cb -0.00 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.59 1ibw s LEU 41 CO 0.21 -0.23 -0.16 -0.75 0.02 0.00 0.00 176.35 175.44 1ibw s LYS 42 N 1.18 2.48 -0.06 1.70 2.20 -1.26 -5.09 119.74 120.88 1ibw s LYS 42 Ca -0.07 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1ibw s LYS 42 Cb -0.20 -2.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 1ibw s LYS 42 CO -0.03 -0.16 -0.09 0.14 -0.36 0.00 0.00 175.35 174.85 1ibw s VAL 43 N 1.24 0.94 0.26 4.02 -7.23 -1.26 -5.13 120.40 113.25 1ibw s VAL 43 Ca 0.00 -0.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1ibw s VAL 43 Cb -0.14 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.95 1ibw s VAL 43 CO -0.08 0.32 0.81 -1.81 -0.31 0.00 0.00 175.10 174.04 1ibw s ASP 44 N 0.86 -0.17 -0.04 4.85 -0.00 -1.26 -5.05 116.67 115.87 1ibw s ASP 44 Ca -0.11 -0.67 -0.19 0.00 -0.00 0.00 0.00 52.55 51.57 1ibw s ASP 44 Cb -0.15 0.68 0.04 0.00 -0.00 0.00 0.00 42.92 43.49 1ibw s ASP 44 CO 0.01 -1.29 0.41 0.00 -0.00 0.00 0.00 175.17 174.31 1ibw s ALA 45 N -3.32 -1.06 0.06 5.23 0.00 -1.26 -5.03 121.76 116.38 1ibw s ALA 45 Ca 0.13 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1ibw s ALA 45 Cb -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1ibw s ALA 45 CO 0.07 -0.28 0.04 0.20 0.00 0.00 0.00 175.76 175.78 1ibw s GLY 46 N -1.15 0.33 0.17 0.00 0.00 -1.26 -4.78 107.32 100.63 1ibw s GLY 46 Ca -0.12 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.72 1ibw s GLY 46 CO 0.05 -1.08 -0.16 -1.34 0.00 0.00 0.00 173.10 170.57 1ibw s VAL 47 N -3.62 1.65 -0.05 1.40 -7.23 -1.26 -4.78 120.40 106.51 1ibw s VAL 47 Ca 0.04 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1ibw s VAL 47 Cb 0.05 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1ibw s VAL 47 CO -0.09 -0.43 0.18 -0.60 -0.31 0.00 0.00 175.10 173.84 1ibw s ARG 48 N -3.04 0.32 -0.12 4.82 6.06 -1.26 -4.80 118.95 120.93 1ibw s ARG 48 Ca 0.16 0.04 -0.29 0.00 -2.50 0.00 0.00 55.73 53.14 1ibw s ARG 48 Cb -0.04 0.15 -0.06 0.00 0.06 0.00 0.00 34.95 35.06 1ibw s ARG 48 CO 0.06 -0.06 1.90 -0.51 -2.50 0.00 0.00 175.30 174.18 1ibw s ASP 49 N -0.42 6.17 -0.42 -2.12 1.11 -1.26 -4.87 116.67 114.86 1ibw s ASP 49 Ca -0.05 2.09 -0.36 0.00 0.18 0.00 0.00 52.55 54.41 1ibw s ASP 49 Cb -0.03 -2.53 -0.13 0.00 1.07 0.00 0.00 42.92 41.30 1ibw s ASP 49 CO 0.01 -1.36 2.22 1.17 1.18 0.00 0.00 175.17 178.39 1ibw n LYS 50 N 7.88 0.82 -0.42 8.23 3.00 -1.26 -4.97 118.16 131.44 1ibw n LYS 50 Ca 0.22 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1ibw n LYS 50 Cb 0.44 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.18 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 9.78 0.03 0.01 3.14 3.41 -1.26 -5.03 113.62 123.69 1ibw n SER 51 Ca 0.45 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1ibw n SER 51 Cb 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.15 -0.65 4.04 2.03 -2.04 -3.43 116.42 116.51 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 1.24 0.96 0.20 -1.03 0.00 0.00 179.24 180.61 1ibw s ASN 53 N -6.49 5.24 0.16 4.15 0.01 -1.26 -4.86 114.94 111.90 1ibw s ASN 53 Ca -0.08 -1.16 -0.26 0.00 -0.71 0.00 0.00 52.86 50.65 1ibw s ASN 53 Cb 0.08 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.19 1ibw s ASN 53 CO 0.82 -2.74 1.57 0.78 -1.51 0.00 0.00 177.10 176.02 1ibw h ASN 54 N 10.47 -1.47 -0.07 -1.22 2.35 -1.99 0.35 115.58 124.00 1ibw h ASN 54 Ca 0.16 0.24 0.02 0.00 -0.55 0.00 0.00 56.30 56.17 1ibw h ASN 54 Cb 0.98 0.66 -0.04 0.00 0.05 0.00 0.00 38.32 39.96 1ibw h ASN 54 CO 1.24 -0.35 -0.36 0.58 -1.65 0.00 0.00 177.43 176.90 1ibw h VAL 55 N -0.26 0.00 -0.99 2.81 2.07 -1.99 0.83 116.25 118.71 1ibw h VAL 55 Ca 0.16 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.90 1ibw h VAL 55 Cb 0.57 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 1ibw h VAL 55 CO -0.65 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.49 1ibw h LEU 56 N -0.39 0.63 -0.68 2.57 3.38 -1.82 0.60 115.31 119.60 1ibw h LEU 56 Ca 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ibw h LEU 56 Cb 0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ibw h LEU 56 CO -0.28 0.20 0.38 0.44 0.09 0.00 0.00 178.44 179.27 1ibw h ASP 57 N 0.60 0.85 -0.25 -0.43 3.32 0.36 -1.71 116.42 119.15 1ibw h ASP 57 Ca 0.57 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.44 1ibw h ASP 57 Cb 1.11 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1ibw h ASP 57 CO -0.34 0.70 -0.19 1.23 -1.72 0.00 0.00 179.24 178.92 1ibw h GLY 58 N 0.94 0.63 0.32 2.75 0.00 0.24 -1.78 103.07 106.16 1ibw h GLY 58 Ca 0.24 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1ibw h GLY 58 CO -0.04 0.55 -0.12 -2.22 0.00 0.00 0.00 176.54 174.72 1ibw h ILE 59 N 0.29 0.61 -0.22 2.60 1.08 -0.43 0.75 117.51 122.18 1ibw h ILE 59 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1ibw h ILE 59 Cb 0.73 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1ibw h ILE 59 CO 0.05 0.00 0.02 0.58 -0.69 0.00 0.00 178.15 178.11 1ibw h VAL 60 N -0.07 1.24 -0.52 1.67 2.07 -1.31 0.51 116.25 119.84 1ibw h VAL 60 Ca 0.15 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1ibw h VAL 60 Cb 0.29 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1ibw h VAL 60 CO -0.34 0.26 0.21 0.77 0.02 0.00 0.00 177.57 178.49 1ibw h SER 61 N 0.17 0.25 -0.30 0.57 4.64 -0.89 0.26 113.55 118.24 1ibw h SER 61 Ca 0.07 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1ibw h SER 61 Cb 0.37 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1ibw h SER 61 CO 0.01 0.17 0.12 0.22 -0.87 0.00 0.00 176.83 176.48 1ibw h TYR 62 N 0.41 0.23 -0.30 4.77 3.20 -0.72 0.14 116.97 124.70 1ibw h TYR 62 Ca 0.24 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1ibw h TYR 62 Cb 0.23 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1ibw h TYR 62 CO -0.14 0.11 0.16 0.22 -1.64 0.00 0.00 178.16 176.87 1ibw h ASP 63 N 0.27 0.25 0.37 -2.11 3.58 0.35 0.18 116.42 119.32 1ibw h ASP 63 Ca 0.13 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1ibw h ASP 63 Cb 0.08 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1ibw h ASP 63 CO -0.12 0.19 -0.21 0.03 -2.88 0.00 0.00 179.24 176.25 1ibw h ARG 64 N 0.34 0.00 0.02 0.28 3.08 0.04 -1.75 114.38 116.39 1ibw h ARG 64 Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1ibw h ARG 64 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ibw h ARG 64 CO -0.07 0.21 -0.59 0.00 -1.07 0.00 0.00 179.97 178.46 1ibw h ALA 65 N 1.79 0.04 -0.40 0.04 0.00 0.79 -2.43 119.26 119.09 1ibw h ALA 65 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1ibw h ALA 65 Cb 0.46 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1ibw h ALA 65 CO 0.03 0.32 0.18 0.93 0.00 0.00 0.00 179.25 180.70 1ibw h GLU 66 N -0.21 0.35 0.00 0.00 5.08 -0.44 -2.25 114.58 117.11 1ibw h GLU 66 Ca -0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1ibw h GLU 66 Cb 1.33 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ibw h GLU 66 CO 0.11 0.23 -0.12 1.79 -1.00 0.00 0.00 179.01 180.03 1ibw h THR 67 N 0.36 0.58 -3.98 1.13 1.35 -1.39 -3.09 112.91 107.87 1ibw h THR 67 Ca 0.18 -0.54 -0.51 0.00 -0.55 0.00 0.00 66.41 64.99 1ibw h THR 67 Cb 0.12 1.34 0.07 0.00 -1.73 0.00 0.00 68.15 67.95 1ibw h THR 67 CO -0.15 0.12 0.51 -0.75 -0.25 0.00 0.00 175.52 175.00 1ibw s LYS 68 N -4.21 3.84 2.92 4.72 2.20 -0.85 -4.62 119.74 123.75 1ibw s LYS 68 Ca -0.03 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1ibw s LYS 68 Cb 0.13 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1ibw s LYS 68 CO 0.59 -0.51 0.00 0.09 -0.36 0.00 0.00 175.35 175.16 1ibw n ASN 69 N -0.27 0.00 -4.58 1.43 3.02 -1.26 -4.18 115.26 109.42 1ibw n ASN 69 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 1ibw n ASN 69 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 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 2.25 -0.26 5.41 0.00 -1.26 -4.88 121.76 122.01 1ibw s ALA 70 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1ibw s ALA 70 Cb 0.00 -4.20 -0.01 0.00 0.00 0.00 0.00 23.12 18.91 1ibw s ALA 70 CO 0.00 -3.55 1.51 -0.47 0.00 0.00 0.00 175.76 173.25 1ibw s TYR 71 N 9.84 2.29 -0.36 0.00 5.04 -1.26 -4.79 117.35 128.11 1ibw s TYR 71 Ca 0.95 0.66 0.09 0.00 -2.44 0.00 0.00 57.07 56.33 1ibw s TYR 71 Cb -0.24 -3.99 0.45 0.00 0.35 0.00 0.00 41.96 38.53 1ibw s TYR 71 CO 0.30 -2.49 1.11 0.44 -1.34 0.00 0.00 175.55 173.57 1ibw n ILE 72 N 6.43 2.08 0.00 3.14 -5.35 -1.17 -5.05 119.36 119.45 1ibw n ILE 72 Ca 0.18 -4.24 0.00 0.00 -0.27 0.00 0.00 62.75 58.42 1ibw n ILE 72 Cb 0.46 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 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 -0.49 0.00 2.70 3.28 0.00 -1.26 -3.82 105.19 105.60 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 2.71 -4.43 1.61 6.02 -1.26 -4.88 117.38 117.16 1ibw n GLN 74 Ca 0.00 -2.29 -0.35 0.00 -0.01 0.00 0.00 57.00 54.36 1ibw n GLN 74 Cb 0.00 -3.05 -0.10 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 3.34 4.17 -0.49 5.09 1.09 -1.25 -5.06 121.20 128.10 1ibw s ILE 75 Ca 0.53 -0.30 -0.23 0.00 -1.10 0.00 0.00 60.65 59.55 1ibw s ILE 75 Cb 0.15 -2.74 0.03 0.00 -1.06 0.00 0.00 42.46 38.84 1ibw s ILE 75 CO -0.04 0.60 0.81 0.20 -0.10 0.00 0.00 174.94 176.41 1ibw s ASN 76 N -0.83 6.37 -0.28 3.58 0.01 -1.26 -5.01 114.94 117.51 1ibw s ASN 76 Ca 0.13 -0.28 -0.16 0.00 -0.71 0.00 0.00 52.86 51.83 1ibw s ASN 76 Cb -0.11 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1ibw s ASN 76 CO 0.02 -1.00 0.45 -0.32 -1.51 0.00 0.00 177.10 174.73 1ibw s MET 77 N 3.39 3.94 0.48 -0.60 -2.45 -1.26 -5.07 119.30 117.74 1ibw s MET 77 Ca 0.28 0.08 -0.01 0.00 -1.25 0.00 0.00 55.69 54.78 1ibw s MET 77 Cb -0.13 -3.69 -0.00 0.00 1.25 0.00 0.00 34.83 32.26 1ibw s MET 77 CO 0.20 -0.38 0.73 0.99 1.05 0.00 0.00 175.02 177.61 1ibw s THR 78 N 2.21 4.00 -0.07 10.11 2.01 -1.26 -5.09 115.64 127.54 1ibw s THR 78 Ca 0.18 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1ibw s THR 78 Cb -0.16 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1ibw s THR 78 CO 0.10 -0.40 -0.15 -0.89 -0.69 0.00 0.00 174.62 172.59 1ibw s THR 79 N -2.66 1.34 0.12 -0.82 2.01 -1.26 -5.13 115.64 109.24 1ibw s THR 79 Ca 0.49 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1ibw s THR 79 Cb -0.10 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1ibw s THR 79 CO 0.40 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 174.54 1ibw s ALA 80 N 0.47 1.78 0.00 7.40 0.00 -1.26 -5.36 121.76 124.79 1ibw s ALA 80 Ca -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1ibw s ALA 80 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1ibw s ALA 80 CO 0.04 0.27 0.00 -1.13 0.00 0.00 0.00 175.76 174.94