#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yws n SER 2 N 0.00 2.44 -4.62 7.83 7.64 -1.26 -5.05 113.62 120.61 1yws n SER 2 Ca 0.00 -1.94 -0.41 0.00 1.01 0.00 0.00 58.87 57.53 1yws n SER 2 Cb 0.00 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1yws n SER 2 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1yws s THR 3 N -1.67 4.94 -0.80 0.44 -4.23 -1.26 -4.45 115.64 108.60 1yws s THR 3 Ca 0.03 1.05 0.08 0.00 -1.18 0.00 0.00 61.69 61.67 1yws s THR 3 Cb -0.00 -3.99 0.17 0.00 1.34 0.00 0.00 72.50 70.02 1yws s THR 3 CO 0.02 -0.07 1.03 -1.22 -0.54 0.00 0.00 174.62 173.84 1yws n TYR 4 N 5.83 0.22 -4.02 3.99 4.01 -1.20 -4.91 117.16 121.08 1yws n TYR 4 Ca -0.00 -0.32 -0.10 0.00 -0.16 0.00 0.00 57.90 57.32 1yws n TYR 4 Cb 0.49 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 1yws n TYR 4 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1yws s ASP 5 N -0.88 0.14 -0.29 7.72 -1.08 -1.26 -5.06 116.67 115.96 1yws s ASP 5 Ca 0.14 -1.09 -0.07 0.00 -0.52 0.00 0.00 52.55 51.01 1yws s ASP 5 Cb 0.08 0.60 0.14 0.00 -1.46 0.00 0.00 42.92 42.28 1yws s ASP 5 CO 0.11 -1.18 0.60 -0.70 0.52 0.00 0.00 175.17 174.53 1yws s GLU 6 N -3.75 0.54 0.25 4.34 2.12 -1.26 -0.67 118.70 120.28 1yws s GLU 6 Ca 0.25 1.27 0.07 0.00 0.36 0.00 0.00 54.97 56.92 1yws s GLU 6 Cb -0.00 0.70 -0.05 0.00 0.26 0.00 0.00 34.13 35.03 1yws s GLU 6 CO 0.12 -0.33 -0.09 0.42 -0.54 0.00 0.00 175.26 174.84 1yws s ILE 7 N 2.85 1.68 0.34 -3.70 1.09 -0.57 -4.96 121.20 117.94 1yws s ILE 7 Ca 0.02 -2.16 -0.10 0.00 -1.10 0.00 0.00 60.65 57.31 1yws s ILE 7 Cb -0.13 -2.31 -0.07 0.00 -1.06 0.00 0.00 42.46 38.90 1yws s ILE 7 CO -0.19 -0.40 0.69 -1.61 -0.10 0.00 0.00 174.94 173.33 1yws s GLU 8 N -3.70 3.81 0.52 2.79 2.02 -1.26 0.22 118.70 123.10 1yws s GLU 8 Ca 0.27 0.40 0.17 0.00 0.02 0.00 0.00 54.97 55.83 1yws s GLU 8 Cb 0.02 -2.48 1.31 0.00 0.10 0.00 0.00 34.13 33.08 1yws s GLU 8 CO 0.10 0.10 2.15 0.97 0.02 0.00 0.00 175.26 178.61 1yws h ILE 9 N 1.47 0.96 0.00 -1.63 2.10 -0.83 -1.31 117.51 118.27 1yws h ILE 9 Ca -0.47 -0.02 -0.09 0.00 1.08 0.00 0.00 64.86 65.35 1yws h ILE 9 Cb 1.18 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1yws h ILE 9 CO 0.65 0.01 -0.42 1.05 -1.08 0.00 0.00 178.15 178.36 1yws h GLU 10 N 0.00 0.00 0.14 2.19 4.11 -1.94 -2.94 114.58 116.15 1yws h GLU 10 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1yws h GLU 10 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1yws h GLU 10 CO 0.00 0.42 -1.29 0.22 0.07 0.00 0.00 179.01 178.43 1yws h ASP 11 N 0.00 0.47 -3.83 3.06 3.58 -1.64 -3.45 116.42 114.62 1yws h ASP 11 Ca -0.00 -0.51 -0.56 0.00 0.42 0.00 0.00 57.03 56.38 1yws h ASP 11 Cb 0.79 -0.15 0.17 0.00 1.72 0.00 0.00 39.33 41.86 1yws h ASP 11 CO 0.05 1.40 0.19 0.23 -2.88 0.00 0.00 179.24 178.23 1yws n MET 12 N -3.55 0.64 -3.50 0.28 2.81 -1.04 -4.99 117.12 107.78 1yws n MET 12 Ca -0.10 0.28 -0.38 0.00 -1.81 0.00 0.00 57.70 55.69 1yws n MET 12 Cb 1.03 -2.28 -0.09 0.00 -0.71 0.00 0.00 33.22 31.18 1yws n MET 12 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1yws s THR 13 N -1.72 5.26 -0.00 2.03 2.01 -0.75 -4.97 115.64 117.51 1yws s THR 13 Ca 0.75 0.47 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1yws s THR 13 Cb -0.36 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1yws s THR 13 CO 0.48 0.28 0.94 0.72 -0.69 0.00 0.00 174.62 176.35 1yws s PHE 14 N 1.29 3.66 -0.59 4.92 -0.71 -1.26 -0.54 117.98 124.75 1yws s PHE 14 Ca 0.14 1.65 -0.00 0.00 -1.04 0.00 0.00 56.93 57.67 1yws s PHE 14 Cb -0.14 -3.07 0.15 0.00 -1.21 0.00 0.00 43.02 38.75 1yws s PHE 14 CO 0.07 0.02 0.38 -2.00 -1.34 0.00 0.00 175.22 172.34 1yws s GLU 15 N 0.90 2.35 0.60 1.99 2.12 0.13 -4.92 118.70 121.87 1yws s GLU 15 Ca 0.50 -2.59 0.37 0.00 0.36 0.00 0.00 54.97 53.60 1yws s GLU 15 Cb -0.21 -3.57 1.87 0.00 0.26 0.00 0.00 34.13 32.48 1yws s GLU 15 CO 0.27 -1.15 2.19 -1.00 -0.54 0.00 0.00 175.26 175.03 1yws h PRO 16 N 6.79 0.00 -0.75 4.30 0.13 -1.86 -1.62 132.00 138.99 1yws h PRO 16 Ca -0.04 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1yws h PRO 16 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1yws h PRO 16 CO 0.70 0.03 0.49 0.93 -0.23 0.00 0.00 178.00 179.93 1yws h GLU 17 N 0.00 0.98 -0.20 0.86 4.39 -1.92 -2.95 114.58 115.73 1yws h GLU 17 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1yws h GLU 17 Cb 0.22 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1yws h GLU 17 CO 0.00 0.65 0.00 0.09 -1.16 0.00 0.00 179.01 178.59 1yws n ASN 18 N -4.57 2.48 -3.62 1.42 3.02 -0.98 -4.98 115.26 108.03 1yws n ASN 18 Ca 0.07 -1.76 -0.24 0.00 -0.03 0.00 0.00 54.58 52.62 1yws n ASN 18 Cb 0.02 -0.13 0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yws n GLN 19 N 0.56 -7.52 -4.09 3.52 3.00 -0.67 -4.99 117.38 107.19 1yws n GLN 19 Ca 0.09 0.80 -0.12 0.00 -0.01 0.00 0.00 57.00 57.76 1yws n GLN 19 Cb 0.36 -5.83 -0.06 0.00 0.00 0.00 0.00 30.24 24.71 1yws n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yws s MET 20 N -6.25 1.63 -0.09 -1.09 0.23 -0.84 -3.96 119.30 108.93 1yws s MET 20 Ca 0.53 -1.57 -0.01 0.00 -1.03 0.00 0.00 55.69 53.62 1yws s MET 20 Cb -0.24 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1yws s MET 20 CO 0.74 -0.65 -0.04 -0.06 -2.03 0.00 0.00 175.02 172.98 1yws s PHE 21 N -3.64 3.02 0.12 3.16 0.40 0.04 0.19 117.98 121.27 1yws s PHE 21 Ca 0.30 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1yws s PHE 21 Cb 0.01 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1yws s PHE 21 CO 0.15 0.32 -0.01 0.95 0.70 0.00 0.00 175.22 177.33 1yws s THR 22 N -0.67 0.48 -0.08 0.64 -4.23 0.30 -1.48 115.64 110.60 1yws s THR 22 Ca 0.10 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1yws s THR 22 Cb -0.12 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.89 1yws s THR 22 CO 0.02 -0.68 0.17 -0.47 -0.54 0.00 0.00 174.62 173.12 1yws s TYR 23 N -3.78 -0.20 -0.33 3.99 5.04 -0.81 -1.81 117.35 119.45 1yws s TYR 23 Ca 0.18 0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 55.08 1yws s TYR 23 Cb 0.06 -0.09 -0.08 0.00 0.35 0.00 0.00 41.96 42.21 1yws s TYR 23 CO -0.01 -0.20 2.27 -0.35 -1.34 0.00 0.00 175.55 175.91 1yws n PRO 24 N 4.42 1.49 -4.76 4.97 -0.04 -1.26 -1.43 135.00 138.39 1yws n PRO 24 Ca -0.22 0.35 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1yws n PRO 24 Cb 0.51 -3.01 -0.12 0.00 -0.04 0.00 0.00 33.50 30.84 1yws n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yws s PRO 26 N -0.88 3.87 0.00 0.00 0.04 -1.26 -4.49 135.00 132.28 1yws s PRO 26 Ca 0.13 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1yws s PRO 26 Cb -0.11 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1yws s PRO 26 CO 0.02 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.54 1yws n GLY 28 N 0.00 0.17 3.31 0.00 0.00 -1.26 -4.89 105.19 102.51 1yws n GLY 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1yws n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yws s ASP 29 N 0.00 0.93 0.24 1.61 -1.08 -1.26 -5.06 116.67 112.06 1yws s ASP 29 Ca 0.00 -1.54 0.11 0.00 -0.52 0.00 0.00 52.55 50.60 1yws s ASP 29 Cb 0.00 0.51 -0.05 0.00 -1.46 0.00 0.00 42.92 41.93 1yws s ASP 29 CO 0.00 -1.03 -0.17 0.00 0.52 0.00 0.00 175.17 174.49 1yws s ARG 30 N -3.66 1.77 0.09 4.34 1.70 -1.26 -4.18 118.95 117.74 1yws s ARG 30 Ca 0.37 -1.59 -0.36 0.00 -0.47 0.00 0.00 55.73 53.69 1yws s ARG 30 Cb 0.03 -1.90 -0.16 0.00 -0.57 0.00 0.00 34.95 32.36 1yws s ARG 30 CO 0.20 0.37 1.42 1.19 -1.08 0.00 0.00 175.30 177.40 1yws n PHE 31 N -0.32 1.73 -4.31 5.89 3.72 -0.51 -4.49 117.46 119.17 1yws n PHE 31 Ca -0.08 0.54 -0.24 0.00 -0.05 0.00 0.00 57.45 57.62 1yws n PHE 31 Cb 0.58 -2.39 -0.17 0.00 -0.94 0.00 0.00 39.48 36.56 1yws n PHE 31 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1yws s GLN 32 N 0.72 1.39 -0.10 -1.08 0.74 0.69 -1.92 119.66 120.10 1yws s GLN 32 Ca 0.84 -0.28 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 1yws s GLN 32 Cb -0.89 -1.28 0.03 0.00 1.10 0.00 0.00 33.01 31.98 1yws s GLN 32 CO 0.45 -0.07 0.25 -1.50 -0.55 0.00 0.00 175.29 173.87 1yws s ILE 33 N 0.99 -0.02 0.00 -2.34 2.07 -0.55 -1.46 121.20 119.90 1yws s ILE 33 Ca -0.09 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1yws s ILE 33 Cb -0.15 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.03 1yws s ILE 33 CO 0.00 0.02 0.27 -0.31 -1.91 0.00 0.00 174.94 173.01 1yws s TYR 34 N 0.60 3.58 0.47 3.50 2.02 -1.26 -0.78 117.35 125.49 1yws s TYR 34 Ca -0.04 0.59 0.21 0.00 -0.37 0.00 0.00 57.07 57.46 1yws s TYR 34 Cb -0.05 -2.00 1.30 0.00 -0.40 0.00 0.00 41.96 40.81 1yws s TYR 34 CO -0.03 0.62 2.08 -0.07 -1.57 0.00 0.00 175.55 176.58 1yws h LEU 35 N 4.07 0.00 -0.73 -1.29 -0.00 -1.94 -2.22 115.31 113.19 1yws h LEU 35 Ca -0.50 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.46 1yws h LEU 35 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.79 1yws h LEU 35 CO 0.65 0.11 0.39 -0.78 -0.00 0.00 0.00 178.44 178.82 1yws h ASP 36 N 0.00 0.55 0.72 -0.43 3.58 -1.94 0.14 116.42 119.04 1yws h ASP 36 Ca -0.00 0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.29 1yws h ASP 36 Cb 0.23 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1yws h ASP 36 CO 0.01 0.33 -0.94 -0.78 -2.88 0.00 0.00 179.24 174.98 1yws h ASP 37 N 0.68 0.18 0.31 2.28 1.82 -1.76 -2.98 116.42 116.94 1yws h ASP 37 Ca 0.35 -0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 56.71 1yws h ASP 37 Cb 0.31 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 1yws h ASP 37 CO -0.24 1.02 -0.50 0.24 -1.61 0.00 0.00 179.24 178.15 1yws h MET 38 N 0.06 0.22 0.00 0.28 2.86 -1.11 -2.21 114.93 115.04 1yws h MET 38 Ca -0.04 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1yws h MET 38 Cb 1.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1yws h MET 38 CO 0.14 0.67 -0.32 0.35 1.06 0.00 0.00 176.91 178.81 1yws h PHE 39 N 0.18 0.00 0.00 -0.22 3.57 -0.68 -2.40 116.94 117.38 1yws h PHE 39 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1yws h PHE 39 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1yws h PHE 39 CO 0.02 0.32 0.00 0.39 -2.23 0.00 0.00 178.31 176.81 1yws n GLU 40 N -3.76 0.19 0.00 1.11 -0.58 -0.84 -4.84 120.64 111.92 1yws n GLU 40 Ca -0.01 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1yws n GLU 40 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1yws n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yws n GLY 41 N 0.38 0.55 3.80 0.62 0.00 -0.90 -5.08 105.19 104.55 1yws n GLY 41 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1yws n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yws s GLU 42 N -0.85 2.90 -0.28 1.61 2.56 -1.18 -5.05 118.70 118.41 1yws s GLU 42 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 54.97 54.09 1yws s GLU 42 Cb 0.00 -2.64 0.14 0.00 2.00 0.00 0.00 34.13 33.62 1yws s GLU 42 CO 0.00 0.48 0.30 -1.59 -0.56 0.00 0.00 175.26 173.90 1yws s LYS 43 N -3.12 0.32 -0.29 4.30 0.00 -1.26 -3.56 119.74 116.14 1yws s LYS 43 Ca 0.31 -0.07 -0.17 0.00 0.00 0.00 0.00 55.97 56.04 1yws s LYS 43 Cb -0.10 -0.65 0.13 0.00 0.00 0.00 0.00 37.83 37.21 1yws s LYS 43 CO 0.23 -0.99 0.92 0.54 0.00 0.00 0.00 175.35 176.05 1yws s VAL 44 N 2.38 0.00 -0.15 1.79 0.11 -1.26 -2.83 120.40 120.44 1yws s VAL 44 Ca 0.09 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.07 1yws s VAL 44 Cb -0.14 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1yws s VAL 44 CO -0.31 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.58 1yws s ALA 45 N 1.28 3.73 -0.08 1.54 0.00 -0.03 -4.80 121.76 123.41 1yws s ALA 45 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1yws s ALA 45 Cb -0.04 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1yws s ALA 45 CO -0.15 0.41 -0.12 0.54 0.00 0.00 0.00 175.76 176.44 1yws s VAL 46 N -0.38 3.27 -0.22 0.00 0.11 -0.53 -1.96 120.40 120.69 1yws s VAL 46 Ca 0.11 -0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1yws s VAL 46 Cb -0.12 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1yws s VAL 46 CO 0.01 0.57 0.07 0.00 -3.33 0.00 0.00 175.10 172.42 1yws s PRO 48 N 1.03 3.33 0.00 0.00 0.04 -1.26 -1.54 135.00 136.60 1yws s PRO 48 Ca 0.04 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1yws s PRO 48 Cb -0.14 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1yws s PRO 48 CO 0.03 -0.79 0.00 0.45 0.04 0.00 0.00 177.00 176.73 1yws n SER 49 N -2.30 0.00 -0.03 6.66 2.88 -1.26 -4.12 113.62 115.45 1yws n SER 49 Ca 0.08 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.52 1yws n SER 49 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1yws n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yws n SER 51 N -3.05 -4.82 -4.13 0.00 2.88 -0.59 -5.09 113.62 98.83 1yws n SER 51 Ca -0.20 0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.20 1yws n SER 51 Cb 1.06 -3.09 -0.14 0.00 -0.75 0.00 0.00 64.21 61.29 1yws n SER 51 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1yws s LEU 52 N -2.58 2.14 -0.01 2.46 2.96 -1.11 -4.94 118.68 117.60 1yws s LEU 52 Ca 0.04 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1yws s LEU 52 Cb -0.01 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.08 1yws s LEU 52 CO 0.36 0.05 -0.06 -0.04 -1.32 0.00 0.00 176.35 175.35 1yws s MET 53 N -0.95 0.55 0.05 1.98 -1.94 -1.26 -0.01 119.30 117.71 1yws s MET 53 Ca 0.02 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 1yws s MET 53 Cb -0.07 -0.55 -0.03 0.00 2.01 0.00 0.00 34.83 36.19 1yws s MET 53 CO 0.01 0.09 -0.04 0.96 -0.01 0.00 0.00 175.02 176.02 1yws s ILE 54 N 0.08 0.32 0.39 2.53 -0.00 -0.83 -3.22 121.20 120.47 1yws s ILE 54 Ca -0.01 -1.40 -0.16 0.00 -0.00 0.00 0.00 60.65 59.08 1yws s ILE 54 Cb -0.05 -0.96 -0.09 0.00 -0.00 0.00 0.00 42.46 41.36 1yws s ILE 54 CO -0.00 -0.70 0.84 -0.62 -0.00 0.00 0.00 174.94 174.45 1yws s ASP 55 N -2.21 6.76 -0.15 4.36 -1.08 0.15 -0.85 116.67 123.66 1yws s ASP 55 Ca -0.03 1.41 -0.01 0.00 -0.52 0.00 0.00 52.55 53.41 1yws s ASP 55 Cb -0.02 -2.43 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1yws s ASP 55 CO -0.04 -0.33 -0.05 0.54 0.52 0.00 0.00 175.17 175.81 1yws s VAL 56 N -2.19 0.99 -0.35 1.11 0.11 -1.13 -1.51 120.40 117.45 1yws s VAL 56 Ca 0.57 -0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 1yws s VAL 56 Cb -0.10 -1.15 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1yws s VAL 56 CO 0.20 0.18 1.51 -0.69 -3.33 0.00 0.00 175.10 172.97 1yws s VAL 57 N 1.69 3.81 0.34 2.04 1.01 0.13 -4.75 120.40 124.68 1yws s VAL 57 Ca 0.02 0.86 0.09 0.00 0.00 0.00 0.00 61.98 62.95 1yws s VAL 57 Cb -0.14 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1yws s VAL 57 CO -0.08 -0.57 0.03 0.72 0.00 0.00 0.00 175.10 175.21 1yws s PHE 58 N 5.54 2.57 0.18 5.22 -0.71 -1.26 -0.11 117.98 129.42 1yws s PHE 58 Ca 0.66 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 56.21 1yws s PHE 58 Cb -0.18 -1.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 1yws s PHE 58 CO 0.31 0.46 -0.16 0.34 -1.34 0.00 0.00 175.22 174.83 1yws s ASP 59 N -3.73 2.59 0.25 1.98 -1.08 -1.26 -5.02 116.67 110.40 1yws s ASP 59 Ca 0.35 -0.94 -0.03 0.00 -0.52 0.00 0.00 52.55 51.41 1yws s ASP 59 Cb -0.01 -0.14 0.30 0.00 -1.46 0.00 0.00 42.92 41.61 1yws s ASP 59 CO 0.20 -0.11 1.77 0.11 0.52 0.00 0.00 175.17 177.65 1yws h LYS 60 N 2.91 0.89 -0.14 4.34 6.56 -1.99 -1.53 116.57 127.61 1yws h LYS 60 Ca -0.40 -0.22 -0.20 0.00 -1.06 0.00 0.00 60.65 58.77 1yws h LYS 60 Cb 1.21 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1yws h LYS 60 CO 0.56 0.84 -0.73 1.05 -2.06 0.00 0.00 179.45 179.11 1yws h GLU 61 N 0.84 0.64 0.26 3.15 4.11 -1.96 -2.08 114.58 119.54 1yws h GLU 61 Ca 0.17 -0.51 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 1yws h GLU 61 Cb 0.39 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1yws h GLU 61 CO 0.01 1.13 -0.16 -0.44 0.07 0.00 0.00 179.01 179.61 1yws h ASP 62 N 0.45 -0.41 -0.17 3.06 5.19 -1.93 -1.04 116.42 121.57 1yws h ASP 62 Ca -0.04 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1yws h ASP 62 Cb 1.33 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.92 1yws h ASP 62 CO 0.14 -0.26 -0.09 -0.07 -3.12 0.00 0.00 179.24 175.84 1yws h LEU 63 N -0.41 -0.30 -0.24 1.55 3.38 -1.25 0.92 115.31 118.97 1yws h LEU 63 Ca -0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1yws h LEU 63 Cb 0.34 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1yws h LEU 63 CO 0.02 -0.12 0.10 0.00 0.09 0.00 0.00 178.44 178.53 1yws h ALA 64 N 1.08 0.28 -0.30 1.53 0.00 -1.28 0.25 119.26 120.81 1yws h ALA 64 Ca 0.10 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1yws h ALA 64 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yws h ALA 64 CO -0.22 -0.31 -0.16 1.49 0.00 0.00 0.00 179.25 180.05 1yws h GLU 65 N 0.22 0.64 -0.12 0.00 4.81 -0.90 -2.80 114.58 116.43 1yws h GLU 65 Ca 0.10 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 1yws h GLU 65 Cb 0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1yws h GLU 65 CO -0.09 0.87 -0.36 1.88 -0.73 0.00 0.00 179.01 180.59 1yws h TYR 66 N 0.40 0.29 -0.53 0.92 -1.99 -0.64 0.96 116.97 116.38 1yws h TYR 66 Ca 0.07 -0.07 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1yws h TYR 66 Cb 0.69 -0.07 -0.08 0.00 2.00 0.00 0.00 36.73 39.26 1yws h TYR 66 CO 0.06 0.58 0.03 1.88 -0.00 0.00 0.00 178.16 180.71 1yws h TYR 67 N 0.22 0.02 -0.02 4.88 -1.99 -0.35 0.40 116.97 120.14 1yws h TYR 67 Ca 0.03 0.04 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 1yws h TYR 67 Cb 0.74 0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.52 1yws h TYR 67 CO 0.01 -0.10 -0.63 0.93 -0.00 0.00 0.00 178.16 178.38 1yws h GLU 68 N 0.15 0.07 -0.28 4.88 5.08 -1.08 -0.21 114.58 123.19 1yws h GLU 68 Ca 0.27 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1yws h GLU 68 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1yws h GLU 68 CO -0.42 0.68 -0.03 0.93 -1.00 0.00 0.00 179.01 179.17 1yws h GLU 69 N 0.05 0.51 0.00 2.33 4.39 -0.06 -3.14 114.58 118.66 1yws h GLU 69 Ca -0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1yws h GLU 69 Cb 1.12 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1yws h GLU 69 CO 0.09 0.69 -0.04 0.00 -1.16 0.00 0.00 179.01 178.59 1yws h ALA 70 N 0.80 0.99 -0.89 3.43 0.00 -0.12 -3.47 119.26 120.00 1yws h ALA 70 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yws h ALA 70 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yws h ALA 70 CO 0.02 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1yws n GLY 71 N 0.60 0.80 4.02 0.00 0.00 -0.69 -4.65 105.19 105.26 1yws n GLY 71 Ca 0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1yws n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yws s ILE 72 N -2.55 2.38 0.25 -0.61 1.01 -0.18 -5.04 121.20 116.47 1yws s ILE 72 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1yws s ILE 72 Cb 0.00 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 1yws s ILE 72 CO 0.00 0.00 1.40 -1.00 0.00 0.00 0.00 174.94 175.34 1yws s HIS 73 N -2.70 3.06 -0.07 3.97 3.76 -1.26 -4.75 115.29 117.29 1yws s HIS 73 Ca 0.61 1.11 -0.33 0.00 -0.15 0.00 0.00 55.06 56.29 1yws s HIS 73 Cb -0.07 -3.77 -0.11 0.00 1.11 0.00 0.00 32.58 29.74 1yws s HIS 73 CO 0.39 -2.44 1.92 -2.30 -0.85 0.00 0.00 174.74 171.45 1yws n PRO 74 N 2.17 2.32 -1.52 8.40 -0.02 -1.26 -4.95 135.00 140.14 1yws n PRO 74 Ca 0.06 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 1yws n PRO 74 Cb 0.41 -2.74 0.08 0.00 -0.02 0.00 0.00 33.50 31.22 1yws n PRO 74 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yws s PRO 75 N 4.29 2.41 0.79 0.52 0.04 -1.26 -5.06 135.00 136.74 1yws s PRO 75 Ca 0.93 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1yws s PRO 75 Cb -0.63 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.04 1yws s PRO 75 CO 0.49 -1.43 1.09 -1.21 0.04 0.00 0.00 177.00 175.98 1yws s GLU 76 N -5.08 2.16 0.42 4.56 8.01 -1.26 -4.99 118.70 122.52 1yws s GLU 76 Ca 0.60 0.68 -0.26 0.00 0.01 0.00 0.00 54.97 56.00 1yws s GLU 76 Cb -0.15 -1.92 -0.10 0.00 -4.31 0.00 0.00 34.13 27.65 1yws s GLU 76 CO 0.55 -1.58 1.32 -0.35 0.01 0.00 0.00 175.26 175.20 1yws n PRO 77 N -3.41 2.05 -3.87 0.39 -0.04 -1.26 -5.02 135.00 123.84 1yws n PRO 77 Ca 0.07 0.73 -0.23 0.00 -0.04 0.00 0.00 63.50 64.03 1yws n PRO 77 Cb 0.56 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1yws s ILE 78 N -1.18 2.45 -0.43 0.52 -4.36 -1.26 -5.01 121.20 111.93 1yws s ILE 78 Ca 0.60 -1.53 0.03 0.00 -0.26 0.00 0.00 60.65 59.49 1yws s ILE 78 Cb -0.50 -2.99 0.27 0.00 1.25 0.00 0.00 42.46 40.49 1yws s ILE 78 CO 0.59 0.00 1.15 0.00 0.24 0.00 0.00 174.94 176.92 1yws n ALA 79 N -1.39 3.33 -3.65 2.27 0.00 -1.26 -4.69 120.51 115.13 1yws n ALA 79 Ca 0.01 -0.88 -0.24 0.00 0.00 0.00 0.00 53.44 52.33 1yws n ALA 79 Cb 0.63 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.80 1yws n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws s ALA 80 N -1.40 0.41 -0.03 0.00 0.00 -1.26 -4.98 121.76 114.49 1yws s ALA 80 Ca 0.20 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1yws s ALA 80 Cb 0.16 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1yws s ALA 80 CO 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 175.76 174.97 1yws n ALA 81 N 5.26 1.95 -1.83 0.00 0.00 -1.26 -4.84 120.51 119.79 1yws n ALA 81 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1yws n ALA 81 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50