#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 0.26 4.33 4.57 -2.07 -0.03 114.58 121.64 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 -0.13 1.25 -1.18 0.00 0.00 179.01 178.95 1ibw h LEU 3 N 0.00 -0.30 -0.99 1.64 5.85 -2.07 -3.27 115.31 116.17 1ibw h LEU 3 Ca 0.27 -0.16 0.32 0.00 0.84 0.00 0.00 57.88 59.15 1ibw h LEU 3 Cb 1.94 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 42.90 1ibw h LEU 3 CO -0.00 0.20 0.54 0.44 -0.34 0.00 0.00 178.44 179.28 1ibw h ASP 4 N -1.00 0.47 -0.55 1.25 3.32 -1.42 0.65 116.42 119.14 1ibw h ASP 4 Ca -0.04 0.19 0.16 0.00 0.02 0.00 0.00 57.03 57.37 1ibw h ASP 4 Cb 0.44 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1ibw h ASP 4 CO 0.06 -0.15 0.46 0.00 -1.72 0.00 0.00 179.24 177.89 1ibw h ALA 5 N 1.85 2.40 0.00 3.45 0.00 -1.58 0.32 119.26 125.70 1ibw h ALA 5 Ca 0.73 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 55.35 1ibw h ALA 5 Cb 1.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1ibw h ALA 5 CO -0.62 -0.74 -1.53 0.87 0.00 0.00 0.00 179.25 177.23 1ibw h LYS 6 N 0.00 0.00 -0.04 0.00 1.57 0.22 -3.37 116.57 114.95 1ibw h LYS 6 Ca 0.26 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 1ibw h LYS 6 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1ibw h LYS 6 CO -0.00 0.61 -0.75 -0.07 -0.57 0.00 0.00 179.45 178.67 1ibw h LEU 7 N 0.00 0.73 -2.49 2.94 -0.00 -0.30 -3.16 115.31 113.04 1ibw h LEU 7 Ca -0.22 -0.71 0.01 0.00 -0.00 0.00 0.00 57.88 56.96 1ibw h LEU 7 Cb 1.95 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 42.39 1ibw h LEU 7 CO 0.09 1.34 0.16 0.78 -0.00 0.00 0.00 178.44 180.82 1ibw h ASN 8 N 0.19 0.00 0.86 -0.43 -0.26 -0.18 0.63 115.58 116.39 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 1.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.68 1ibw h ASN 8 CO 0.15 0.00 -0.54 0.29 -1.06 0.00 0.00 177.43 176.27 1ibw n LYS 9 N -3.07 0.23 0.00 0.81 5.02 -1.19 -3.36 118.16 116.60 1ibw n LYS 9 Ca -0.02 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1ibw n LYS 9 Cb 0.23 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.74 0.00 -0.35 4.77 0.21 -4.94 117.00 115.43 1ibw n LEU 10 Ca 0.04 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 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 0.97 3.83 -0.72 0.00 -0.45 -5.08 105.19 105.18 1ibw n GLY 11 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 5.11 0.06 1.61 1.01 -0.41 -4.95 120.40 120.83 1ibw s VAL 12 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1ibw s VAL 12 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1ibw s VAL 12 CO 0.00 0.52 -0.05 1.51 0.00 0.00 0.00 175.10 177.07 1ibw s ASP 13 N -1.28 0.73 -0.27 3.32 1.47 -1.26 -2.31 116.67 117.06 1ibw s ASP 13 Ca 0.18 -0.79 0.11 0.00 1.18 0.00 0.00 52.55 53.23 1ibw s ASP 13 Cb -0.12 0.11 0.46 0.00 -0.34 0.00 0.00 42.92 43.03 1ibw s ASP 13 CO 0.08 -0.40 1.18 0.54 0.68 0.00 0.00 175.17 177.25 1ibw n ARG 14 N 0.71 3.03 -3.22 2.11 1.74 -1.26 -3.76 116.66 116.01 1ibw n ARG 14 Ca -0.18 -3.93 -0.39 0.00 -0.77 0.00 0.00 57.85 52.59 1ibw n ARG 14 Cb 0.58 -2.05 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 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 -4.24 5.00 -0.30 0.55 1.01 -1.26 -4.57 121.20 117.39 1ibw s ILE 15 Ca 0.45 1.19 -0.02 0.00 0.00 0.00 0.00 60.65 62.28 1ibw s ILE 15 Cb 0.39 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 39.07 1ibw s ILE 15 CO 0.01 0.38 0.23 0.00 0.00 0.00 0.00 174.94 175.56 1ibw s ALA 16 N 0.12 0.10 0.07 9.38 0.00 -1.23 -0.97 121.76 129.22 1ibw s ALA 16 Ca 0.31 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.54 1ibw s ALA 16 Cb -0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1ibw s ALA 16 CO 0.16 -1.76 -0.25 0.42 0.00 0.00 0.00 175.76 174.33 1ibw s ILE 17 N 2.07 2.31 -0.23 0.00 -1.09 0.19 -4.95 121.20 119.50 1ibw s ILE 17 Ca 0.11 -1.45 -0.05 0.00 -2.23 0.00 0.00 60.65 57.02 1ibw s ILE 17 Cb -0.16 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1ibw s ILE 17 CO -0.29 0.28 0.01 -0.55 -1.23 0.00 0.00 174.94 173.15 1ibw s SER 18 N -1.51 4.68 0.00 3.58 0.15 -1.26 -0.59 113.70 118.74 1ibw s SER 18 Ca 0.13 -0.30 0.14 0.00 0.70 0.00 0.00 55.95 56.62 1ibw s SER 18 Cb -0.10 -1.82 0.74 0.00 -1.71 0.00 0.00 66.02 63.13 1ibw s SER 18 CO 0.04 -0.02 1.31 -0.81 1.20 0.00 0.00 173.24 174.96 1ibw n PRO 19 N 4.79 0.29 -2.45 5.44 -0.04 -1.26 -4.78 135.00 136.99 1ibw n PRO 19 Ca -0.17 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 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 -2.33 3.55 -0.25 0.54 1.51 -1.26 -5.03 117.35 114.08 1ibw s TYR 20 Ca 0.16 1.04 -0.21 0.00 -1.01 0.00 0.00 57.07 57.06 1ibw s TYR 20 Cb 0.09 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1ibw s TYR 20 CO 0.18 -0.36 0.64 0.21 -1.11 0.00 0.00 175.55 175.11 1ibw s LYS 21 N -4.62 4.12 0.00 -0.62 2.20 -1.26 -4.43 119.74 115.13 1ibw s LYS 21 Ca 0.51 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1ibw s LYS 21 Cb -0.10 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1ibw s LYS 21 CO 0.43 -0.40 0.00 0.94 -0.36 0.00 0.00 175.35 175.97 1ibw n GLN 22 N 5.66 0.00 -3.08 4.03 7.27 -1.26 -4.96 117.38 125.03 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 -0.29 -0.06 0.00 2.41 0.00 0.00 30.24 32.79 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 3.52 0.42 3.69 0.51 -1.26 -5.08 118.94 120.74 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 -0.04 0.00 -0.81 0.00 0.00 33.47 30.01 1ibw s TRP 23 CO 0.00 0.20 0.68 0.95 -0.51 0.00 0.00 176.95 178.27 1ibw s THR 24 N -1.76 4.99 0.11 2.01 -4.23 -1.26 -4.63 115.64 110.87 1ibw s THR 24 Ca 0.49 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.96 1ibw s THR 24 Cb -0.14 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 1ibw s THR 24 CO 0.19 -0.72 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.33 1ibw s ARG 25 N -4.54 0.90 0.32 3.99 0.52 -1.26 -5.08 118.95 113.80 1ibw s ARG 25 Ca 0.44 -1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 54.10 1ibw s ARG 25 Cb -0.10 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 1ibw s ARG 25 CO 0.41 0.06 1.11 0.20 0.02 0.00 0.00 175.30 177.09 1ibw s GLY 26 N -2.77 2.98 0.36 -3.53 0.00 -1.26 -4.98 107.32 98.12 1ibw s GLY 26 Ca 0.10 0.88 -0.28 0.00 0.00 0.00 0.00 44.72 45.42 1ibw s GLY 26 CO -0.01 1.45 1.45 -0.47 0.00 0.00 0.00 173.10 175.52 1ibw s TYR 27 N -1.29 2.69 0.00 1.90 5.04 -1.26 -1.91 117.35 122.52 1ibw s TYR 27 Ca 0.49 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1ibw s TYR 27 Cb -0.30 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.06 1ibw s TYR 27 CO 0.39 -2.76 0.00 -1.33 -1.34 0.00 0.00 175.55 170.50 1ibw n MET 28 N 0.59 0.00 -1.78 4.97 2.81 -1.26 -5.03 117.12 117.42 1ibw n MET 28 Ca 0.01 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.49 1ibw n MET 28 Cb 0.40 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 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 -1.93 2.59 -0.95 0.03 1.02 -0.80 -4.95 120.64 115.64 1ibw n GLU 29 Ca 0.00 0.91 -0.31 0.00 -0.02 0.00 0.00 57.16 57.74 1ibw n GLU 29 Cb 0.00 -2.68 0.14 0.00 -0.02 0.00 0.00 31.44 28.88 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 -2.20 1.49 0.00 3.49 0.04 -1.26 -3.46 135.00 133.09 1ibw s PRO 30 Ca 0.55 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1ibw s PRO 30 Cb -0.46 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1ibw s PRO 30 CO 0.62 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.84 1ibw n GLY 31 N -0.44 2.02 3.82 0.56 0.00 -1.26 -5.01 105.19 104.88 1ibw n GLY 31 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.47 6.38 -0.11 1.61 0.01 -1.22 -4.29 114.94 113.84 1ibw s ASN 32 Ca 0.00 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 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 -0.76 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.09 1ibw s ILE 33 N -2.43 3.26 0.00 0.60 1.01 0.24 -4.93 121.20 118.96 1ibw s ILE 33 Ca 0.62 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ibw s ILE 33 Cb -0.12 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.99 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 3.11 2.38 1.49 6.18 0.00 -1.26 0.54 105.19 117.63 1ibw n GLY 34 Ca -0.18 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 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 3.42 -0.66 1.61 3.02 -0.62 -4.74 115.26 117.29 1ibw n ASN 35 Ca 0.00 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 1ibw n ASN 35 Cb 0.00 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.05 6.12 3.50 7.41 0.00 -0.15 -4.73 105.19 116.29 1ibw n GLY 36 Ca 0.40 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.10 -0.62 -0.06 1.61 -0.85 -1.26 -4.61 117.35 111.46 1ibw s TYR 37 Ca 0.00 1.02 0.03 0.00 -0.52 0.00 0.00 57.07 57.60 1ibw s TYR 37 Cb 0.00 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 1ibw s TYR 37 CO 0.00 -0.61 -0.14 0.08 -1.52 0.00 0.00 175.55 173.36 1ibw s VAL 38 N -1.39 3.07 0.22 -3.49 1.01 -1.26 -5.00 120.40 113.56 1ibw s VAL 38 Ca -0.10 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1ibw s VAL 38 Cb -0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1ibw s VAL 38 CO 0.08 0.58 -0.05 0.28 0.00 0.00 0.00 175.10 175.99 1ibw s THR 39 N -0.55 1.26 0.33 3.92 -1.32 -1.26 -5.05 115.64 112.98 1ibw s THR 39 Ca 0.08 -2.08 -0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1ibw s THR 39 Cb -0.12 -2.24 -0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1ibw s THR 39 CO 0.01 -0.43 0.46 -0.83 -2.21 0.00 0.00 174.62 171.62 1ibw s GLY 40 N -3.31 1.38 -0.29 6.08 0.00 -1.26 -5.15 107.32 104.77 1ibw s GLY 40 Ca 0.26 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1ibw s GLY 40 CO 0.08 -0.98 -0.02 1.08 0.00 0.00 0.00 173.10 173.26 1ibw s LEU 41 N -3.21 3.83 -0.15 0.66 1.02 -1.26 -5.08 118.68 114.50 1ibw s LEU 41 Ca 0.30 -1.29 0.01 0.00 0.02 0.00 0.00 54.13 53.17 1ibw s LEU 41 Cb -0.00 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.54 1ibw s LEU 41 CO 0.19 -0.25 -0.17 -0.75 0.02 0.00 0.00 176.35 175.38 1ibw s LYS 42 N 1.23 2.58 -0.06 1.70 2.20 -1.26 -5.09 119.74 121.04 1ibw s LYS 42 Ca -0.06 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1ibw s LYS 42 Cb -0.20 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1ibw s LYS 42 CO -0.02 -0.16 -0.08 0.14 -0.36 0.00 0.00 175.35 174.88 1ibw s VAL 43 N 1.22 0.86 0.28 4.02 -7.23 -1.26 -5.13 120.40 113.16 1ibw s VAL 43 Ca 0.01 -0.30 -0.20 0.00 -1.81 0.00 0.00 61.98 59.67 1ibw s VAL 43 Cb -0.14 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 36.01 1ibw s VAL 43 CO -0.08 0.30 0.79 -1.81 -0.31 0.00 0.00 175.10 173.99 1ibw s ASP 44 N 0.88 -0.18 -0.05 4.85 -0.00 -1.26 -5.05 116.67 115.88 1ibw s ASP 44 Ca -0.11 -0.70 -0.20 0.00 -0.00 0.00 0.00 52.55 51.54 1ibw s ASP 44 Cb -0.15 0.71 0.04 0.00 -0.00 0.00 0.00 42.92 43.52 1ibw s ASP 44 CO 0.01 -1.34 0.44 0.00 -0.00 0.00 0.00 175.17 174.27 1ibw s ALA 45 N -3.38 -1.11 0.06 5.23 0.00 -1.26 -5.03 121.76 116.27 1ibw s ALA 45 Ca 0.13 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 1ibw s ALA 45 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1ibw s ALA 45 CO 0.07 -0.29 0.06 0.20 0.00 0.00 0.00 175.76 175.81 1ibw s GLY 46 N -1.07 0.29 0.13 0.00 0.00 -1.26 -4.77 107.32 100.64 1ibw s GLY 46 Ca -0.11 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.81 1ibw s GLY 46 CO 0.05 -1.01 -0.17 -1.34 0.00 0.00 0.00 173.10 170.63 1ibw s VAL 47 N -3.52 1.59 -0.01 1.40 -7.23 -1.26 -4.77 120.40 106.59 1ibw s VAL 47 Ca 0.03 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1ibw s VAL 47 Cb 0.04 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1ibw s VAL 47 CO -0.09 -0.27 0.07 -0.60 -0.31 0.00 0.00 175.10 173.90 1ibw s ARG 48 N -2.44 0.21 -0.11 4.82 6.06 -1.26 -4.82 118.95 121.42 1ibw s ARG 48 Ca 0.10 -0.13 -0.29 0.00 -2.50 0.00 0.00 55.73 52.91 1ibw s ARG 48 Cb -0.07 0.09 -0.06 0.00 0.06 0.00 0.00 34.95 34.97 1ibw s ARG 48 CO 0.05 -0.04 1.84 -0.51 -2.50 0.00 0.00 175.30 174.13 1ibw s ASP 49 N -0.53 6.30 -0.40 -2.12 1.11 -1.26 -4.87 116.67 114.89 1ibw s ASP 49 Ca -0.06 2.12 -0.36 0.00 0.18 0.00 0.00 52.55 54.43 1ibw s ASP 49 Cb -0.04 -2.53 -0.13 0.00 1.07 0.00 0.00 42.92 41.30 1ibw s ASP 49 CO 0.00 -1.25 2.21 1.17 1.18 0.00 0.00 175.17 178.48 1ibw n LYS 50 N 7.71 0.85 -0.37 8.23 3.00 -1.26 -4.97 118.16 131.35 1ibw n LYS 50 Ca 0.21 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1ibw n LYS 50 Cb 0.43 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.17 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 9.70 0.09 0.01 3.14 3.41 -1.26 -5.03 113.62 123.67 1ibw n SER 51 Ca 0.44 -0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.56 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 0.21 -0.55 4.04 2.03 -2.04 -3.43 116.42 116.67 1ibw h ASP 52 Ca 0.00 -0.40 -0.31 0.00 -0.73 0.00 0.00 57.03 55.59 1ibw h ASP 52 Cb 0.00 -0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 38.39 1ibw h ASP 52 CO 0.00 1.35 0.93 0.20 -1.03 0.00 0.00 179.24 180.69 1ibw s ASN 53 N -6.60 5.04 0.17 4.15 0.01 -1.26 -4.86 114.94 111.59 1ibw s ASN 53 Ca -0.10 -1.30 -0.25 0.00 -0.71 0.00 0.00 52.86 50.50 1ibw s ASN 53 Cb 0.07 -2.58 0.05 0.00 0.41 0.00 0.00 41.25 39.20 1ibw s ASN 53 CO 0.82 -2.99 1.56 0.78 -1.51 0.00 0.00 177.10 175.76 1ibw h ASN 54 N 10.32 -1.54 -0.09 -1.22 2.35 -1.99 -0.27 115.58 123.13 1ibw h ASN 54 Ca 0.17 0.26 0.02 0.00 -0.55 0.00 0.00 56.30 56.20 1ibw h ASN 54 Cb 0.96 0.71 -0.03 0.00 0.05 0.00 0.00 38.32 40.01 1ibw h ASN 54 CO 1.22 -0.32 -0.28 0.58 -1.65 0.00 0.00 177.43 176.97 1ibw h VAL 55 N -0.19 0.00 -0.97 2.81 2.07 -1.99 0.11 116.25 118.09 1ibw h VAL 55 Ca 0.19 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.95 1ibw h VAL 55 Cb 0.55 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 1ibw h VAL 55 CO -0.74 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 177.42 1ibw h LEU 56 N -0.28 0.44 -0.59 2.57 3.38 -1.80 0.73 115.31 119.76 1ibw h LEU 56 Ca 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ibw h LEU 56 Cb 0.34 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ibw h LEU 56 CO -0.24 0.14 0.23 0.44 0.09 0.00 0.00 178.44 179.10 1ibw h ASP 57 N 0.42 0.81 -0.18 -0.43 3.32 0.41 -1.56 116.42 119.22 1ibw h ASP 57 Ca 0.53 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1ibw h ASP 57 Cb 1.32 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1ibw h ASP 57 CO -0.23 0.77 -0.12 1.23 -1.72 0.00 0.00 179.24 179.16 1ibw h GLY 58 N 0.81 0.43 0.10 2.75 0.00 0.28 -1.76 103.07 105.69 1ibw h GLY 58 Ca 0.20 -0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1ibw h GLY 58 CO -0.02 0.37 -0.16 -2.22 0.00 0.00 0.00 176.54 174.52 1ibw h ILE 59 N 0.06 0.50 -0.21 2.60 1.08 -0.62 0.15 117.51 121.07 1ibw h ILE 59 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1ibw h ILE 59 Cb 0.63 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1ibw h ILE 59 CO 0.03 0.00 0.03 0.58 -0.69 0.00 0.00 178.15 178.11 1ibw h VAL 60 N -0.08 1.22 -0.51 1.67 2.07 -1.28 0.84 116.25 120.19 1ibw h VAL 60 Ca 0.19 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1ibw h VAL 60 Cb 0.37 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1ibw h VAL 60 CO -0.45 0.23 0.25 0.77 0.02 0.00 0.00 177.57 178.39 1ibw h SER 61 N 0.15 0.35 -0.26 0.57 4.64 -0.79 0.21 113.55 118.42 1ibw h SER 61 Ca 0.06 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1ibw h SER 61 Cb 0.32 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1ibw h SER 61 CO 0.00 0.24 0.07 0.22 -0.87 0.00 0.00 176.83 176.49 1ibw h TYR 62 N 0.48 0.12 -0.36 4.77 3.20 -0.56 0.10 116.97 124.73 1ibw h TYR 62 Ca 0.23 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1ibw h TYR 62 Cb 0.15 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1ibw h TYR 62 CO -0.11 0.05 0.18 0.22 -1.64 0.00 0.00 178.16 176.86 1ibw h ASP 63 N 0.18 0.27 0.35 -2.11 3.58 0.23 0.12 116.42 119.03 1ibw h ASP 63 Ca 0.12 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1ibw h ASP 63 Cb 0.10 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1ibw h ASP 63 CO -0.14 0.20 -0.23 0.03 -2.88 0.00 0.00 179.24 176.23 1ibw h ARG 64 N 0.37 0.00 -0.00 0.28 3.08 -0.03 -1.67 114.38 116.40 1ibw h ARG 64 Ca 0.15 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 1ibw h ARG 64 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ibw h ARG 64 CO -0.10 0.23 -0.50 0.00 -1.07 0.00 0.00 179.97 178.53 1ibw h ALA 65 N 1.77 0.06 -0.45 0.04 0.00 0.74 -2.39 119.26 119.05 1ibw h ALA 65 Ca -0.00 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1ibw h ALA 65 Cb 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ibw h ALA 65 CO 0.03 0.27 0.19 0.93 0.00 0.00 0.00 179.25 180.68 1ibw h GLU 66 N -0.22 0.38 0.00 0.00 5.08 -0.53 -2.33 114.58 116.96 1ibw h GLU 66 Ca -0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1ibw h GLU 66 Cb 1.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ibw h GLU 66 CO 0.10 0.25 -0.14 1.79 -1.00 0.00 0.00 179.01 180.01 1ibw h THR 67 N 0.39 0.62 -3.90 1.13 1.35 -1.37 -3.10 112.91 108.03 1ibw h THR 67 Ca 0.20 -0.59 -0.51 0.00 -0.55 0.00 0.00 66.41 64.96 1ibw h THR 67 Cb 0.16 1.38 0.05 0.00 -1.73 0.00 0.00 68.15 68.01 1ibw h THR 67 CO -0.18 0.13 0.55 -0.75 -0.25 0.00 0.00 175.52 175.02 1ibw s LYS 68 N -4.19 4.26 4.05 4.72 2.20 -0.88 -4.63 119.74 125.26 1ibw s LYS 68 Ca -0.03 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1ibw s LYS 68 Cb 0.13 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1ibw s LYS 68 CO 0.60 -0.18 0.00 0.09 -0.36 0.00 0.00 175.35 175.50 1ibw n ASN 69 N 0.52 0.00 -4.57 1.43 3.02 -1.26 -4.27 115.26 110.13 1ibw n ASN 69 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1ibw n ASN 69 Cb 0.44 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 2.21 -0.27 5.41 0.00 -1.26 -4.88 121.76 121.96 1ibw s ALA 70 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1ibw s ALA 70 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 1ibw s ALA 70 CO 0.00 -3.61 1.45 -0.47 0.00 0.00 0.00 175.76 173.13 1ibw s TYR 71 N 9.98 2.41 -0.37 0.00 5.04 -1.26 -4.79 117.35 128.35 1ibw s TYR 71 Ca 0.95 0.71 0.09 0.00 -2.44 0.00 0.00 57.07 56.38 1ibw s TYR 71 Cb -0.23 -3.97 0.44 0.00 0.35 0.00 0.00 41.96 38.55 1ibw s TYR 71 CO 0.30 -2.27 1.11 0.44 -1.34 0.00 0.00 175.55 173.78 1ibw n ILE 72 N 6.36 2.14 0.00 3.14 -5.35 -1.17 -5.05 119.36 119.43 1ibw n ILE 72 Ca 0.17 -4.36 0.00 0.00 -0.27 0.00 0.00 62.75 58.29 1ibw n ILE 72 Cb 0.46 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 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 -3.81 105.19 105.61 1ibw n GLY 73 Ca 0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 2.61 -4.36 1.61 6.02 -1.26 -4.89 117.38 117.11 1ibw n GLN 74 Ca 0.00 -2.15 -0.35 0.00 -0.01 0.00 0.00 57.00 54.49 1ibw n GLN 74 Cb 0.00 -2.95 -0.10 0.00 1.02 0.00 0.00 30.24 28.21 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 3.41 4.31 -0.48 5.09 1.09 -1.25 -5.06 121.20 128.31 1ibw s ILE 75 Ca 0.53 -0.25 -0.23 0.00 -1.10 0.00 0.00 60.65 59.61 1ibw s ILE 75 Cb 0.14 -2.82 0.03 0.00 -1.06 0.00 0.00 42.46 38.76 1ibw s ILE 75 CO -0.03 0.60 0.81 0.20 -0.10 0.00 0.00 174.94 176.42 1ibw s ASN 76 N -0.78 6.37 -0.29 3.58 0.01 -1.26 -5.01 114.94 117.56 1ibw s ASN 76 Ca 0.12 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 51.85 1ibw s ASN 76 Cb -0.11 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ibw s ASN 76 CO 0.02 -0.99 0.43 -0.32 -1.51 0.00 0.00 177.10 174.73 1ibw s MET 77 N 3.39 3.89 0.49 -0.60 1.75 -1.26 -5.07 119.30 121.89 1ibw s MET 77 Ca 0.28 0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 54.70 1ibw s MET 77 Cb -0.13 -3.70 -0.01 0.00 2.84 0.00 0.00 34.83 33.83 1ibw s MET 77 CO 0.21 -0.40 0.76 0.99 -0.65 0.00 0.00 175.02 175.93 1ibw s THR 78 N 2.19 4.14 -0.06 10.11 2.01 -1.26 -5.09 115.64 127.68 1ibw s THR 78 Ca 0.17 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1ibw s THR 78 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1ibw s THR 78 CO 0.11 -0.49 -0.16 -0.89 -0.69 0.00 0.00 174.62 172.50 1ibw s THR 79 N -2.72 1.36 0.13 -0.82 2.01 -1.26 -5.13 115.64 109.22 1ibw s THR 79 Ca 0.49 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.92 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 0.41 0.40 -0.16 0.00 -0.69 0.00 0.00 174.62 174.58 1ibw s ALA 80 N 0.31 1.67 0.00 7.40 0.00 -1.26 -5.36 121.76 124.52 1ibw s ALA 80 Ca -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1ibw s ALA 80 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1ibw s ALA 80 CO 0.03 0.18 0.00 -1.13 0.00 0.00 0.00 175.76 174.85