#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yws s SER 2 N 0.00 0.41 -0.21 7.83 0.01 -1.26 -5.13 113.70 115.35 1yws s SER 2 Ca 0.00 -1.25 -0.27 0.00 1.31 0.00 0.00 55.95 55.74 1yws s SER 2 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1yws s SER 2 CO 0.00 -1.23 0.96 0.42 0.41 0.00 0.00 173.24 173.80 1yws s THR 3 N -3.46 4.76 -2.39 1.44 -4.23 -1.26 -4.51 115.64 105.98 1yws s THR 3 Ca 0.27 1.86 0.23 0.00 -1.18 0.00 0.00 61.69 62.87 1yws s THR 3 Cb -0.00 -4.24 0.47 0.00 1.34 0.00 0.00 72.50 70.07 1yws s THR 3 CO 0.15 -0.11 1.43 -1.22 -0.54 0.00 0.00 174.62 174.33 1yws n TYR 4 N 5.99 0.59 -3.83 3.99 4.01 -0.76 -4.90 117.16 122.26 1yws n TYR 4 Ca 0.09 -0.30 -0.06 0.00 -0.16 0.00 0.00 57.90 57.47 1yws n TYR 4 Cb 0.47 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.40 -0.16 -0.26 7.72 -1.08 -1.26 -5.05 116.67 115.18 1yws s ASP 5 Ca 0.41 -0.68 -0.03 0.00 -0.52 0.00 0.00 52.55 51.73 1yws s ASP 5 Cb 0.23 0.68 0.14 0.00 -1.46 0.00 0.00 42.92 42.52 1yws s ASP 5 CO 0.32 -1.29 0.45 -0.70 0.52 0.00 0.00 175.17 174.48 1yws s GLU 6 N -3.30 0.41 0.14 4.34 2.12 -1.26 0.01 118.70 121.16 1yws s GLU 6 Ca 0.13 0.77 0.09 0.00 0.36 0.00 0.00 54.97 56.32 1yws s GLU 6 Cb -0.04 -0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 1yws s GLU 6 CO 0.07 -0.57 -0.19 0.42 -0.54 0.00 0.00 175.26 174.45 1yws s ILE 7 N 2.65 2.76 0.45 -3.70 1.09 -0.14 -4.92 121.20 119.39 1yws s ILE 7 Ca 0.12 -1.62 -0.21 0.00 -1.10 0.00 0.00 60.65 57.85 1yws s ILE 7 Cb -0.15 -2.28 -0.10 0.00 -1.06 0.00 0.00 42.46 38.87 1yws s ILE 7 CO -0.17 0.05 0.98 -1.61 -0.10 0.00 0.00 174.94 174.09 1yws s GLU 8 N -2.28 4.09 0.54 2.79 2.02 -1.26 0.28 118.70 124.88 1yws s GLU 8 Ca 0.19 1.20 0.21 0.00 0.02 0.00 0.00 54.97 56.58 1yws s GLU 8 Cb -0.10 -2.16 1.42 0.00 0.10 0.00 0.00 34.13 33.39 1yws s GLU 8 CO 0.10 -0.16 2.14 0.97 0.02 0.00 0.00 175.26 178.34 1yws h ILE 9 N 1.80 0.84 0.00 -1.63 2.10 -0.82 -0.69 117.51 119.11 1yws h ILE 9 Ca -0.49 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.36 1yws h ILE 9 Cb 1.19 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 1yws h ILE 9 CO 0.60 0.00 -0.44 -0.33 -1.08 0.00 0.00 178.15 176.90 1yws h GLU 10 N 0.00 0.00 0.12 2.19 5.08 -1.92 -3.14 114.58 116.91 1yws h GLU 10 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 1yws h GLU 10 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1yws h GLU 10 CO -0.00 0.44 -1.57 0.22 -1.00 0.00 0.00 179.01 177.10 1yws h ASP 11 N 0.00 0.40 -2.47 1.42 3.58 -1.53 -3.46 116.42 114.37 1yws h ASP 11 Ca -0.00 -0.58 -0.61 0.00 0.42 0.00 0.00 57.03 56.26 1yws h ASP 11 Cb 0.78 -0.13 0.12 0.00 1.72 0.00 0.00 39.33 41.82 1yws h ASP 11 CO 0.06 1.48 0.00 0.80 -2.88 0.00 0.00 179.24 178.71 1yws n MET 12 N -3.46 1.13 -2.91 0.28 1.56 -0.88 -4.92 117.12 107.93 1yws n MET 12 Ca -0.18 0.40 -0.43 0.00 -0.27 0.00 0.00 57.70 57.22 1yws n MET 12 Cb 1.05 -1.77 -0.05 0.00 2.15 0.00 0.00 33.22 34.60 1yws n MET 12 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1yws s THR 13 N -1.17 4.56 0.23 1.12 2.01 0.50 -4.90 115.64 118.00 1yws s THR 13 Ca 0.61 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 1yws s THR 13 Cb -0.67 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 67.36 1yws s THR 13 CO 0.59 -0.83 1.13 0.72 -0.69 0.00 0.00 174.62 175.53 1yws s PHE 14 N 3.50 3.54 -0.51 4.92 -0.71 -1.26 0.31 117.98 127.77 1yws s PHE 14 Ca 0.31 1.60 -0.00 0.00 -1.04 0.00 0.00 56.93 57.80 1yws s PHE 14 Cb -0.12 -3.32 0.13 0.00 -1.21 0.00 0.00 43.02 38.50 1yws s PHE 14 CO 0.22 -0.73 0.29 -2.00 -1.34 0.00 0.00 175.22 171.66 1yws s GLU 15 N -0.87 2.15 0.51 1.99 2.56 0.14 -4.87 118.70 120.31 1yws s GLU 15 Ca 0.48 -2.30 0.30 0.00 0.00 0.00 0.00 54.97 53.45 1yws s GLU 15 Cb -0.32 -3.53 1.30 0.00 2.00 0.00 0.00 34.13 33.58 1yws s GLU 15 CO 0.39 -1.10 1.97 -1.00 -0.56 0.00 0.00 175.26 174.95 1yws h PRO 16 N 7.22 0.00 0.00 4.30 0.13 -1.82 -0.76 132.00 141.08 1yws h PRO 16 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1yws h PRO 16 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1yws h PRO 16 CO 0.68 0.11 0.00 0.93 -0.23 0.00 0.00 178.00 179.49 1yws h GLU 17 N 0.00 0.00 -0.00 0.86 4.39 -1.92 -3.20 114.58 114.71 1yws h GLU 17 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yws h GLU 17 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1yws h GLU 17 CO 0.01 0.00 -0.13 -1.71 -1.16 0.00 0.00 179.01 176.03 1yws n ASN 18 N -2.91 0.58 -2.92 1.42 2.85 -0.96 -5.01 115.26 108.31 1yws n ASN 18 Ca 0.03 -0.79 -0.17 0.00 -0.11 0.00 0.00 54.58 53.54 1yws n ASN 18 Cb 0.44 0.67 0.06 0.00 1.24 0.00 0.00 39.78 42.20 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1yws n GLN 19 N -0.65 -6.01 -4.01 1.20 3.00 -0.33 -5.02 117.38 105.56 1yws n GLN 19 Ca 0.01 0.65 -0.11 0.00 -0.01 0.00 0.00 57.00 57.55 1yws n GLN 19 Cb 0.08 -5.15 -0.04 0.00 0.00 0.00 0.00 30.24 25.13 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 -5.81 1.76 0.08 -1.09 0.23 -0.93 -4.13 119.30 109.42 1yws s MET 20 Ca 0.35 -1.46 0.05 0.00 -1.03 0.00 0.00 55.69 53.61 1yws s MET 20 Cb -0.16 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 1yws s MET 20 CO 0.57 -0.75 -0.03 -0.06 -2.03 0.00 0.00 175.02 172.73 1yws s PHE 21 N -3.46 2.93 0.08 3.16 0.40 -1.02 0.28 117.98 120.35 1yws s PHE 21 Ca 0.24 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1yws s PHE 21 Cb -0.01 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1yws s PHE 21 CO 0.13 0.46 -0.05 0.95 0.70 0.00 0.00 175.22 177.41 1yws s THR 22 N -1.25 0.49 -0.03 0.64 -4.23 0.15 -2.12 115.64 109.28 1yws s THR 22 Ca 0.24 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1yws s THR 22 Cb -0.11 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.15 1yws s THR 22 CO 0.16 -0.93 0.07 -0.47 -0.54 0.00 0.00 174.62 172.91 1yws s TYR 23 N -3.74 -0.04 0.16 3.99 5.04 -0.46 -0.37 117.35 121.93 1yws s TYR 23 Ca 0.10 0.24 -0.31 0.00 -2.44 0.00 0.00 57.07 54.65 1yws s TYR 23 Cb 0.06 -0.16 -0.11 0.00 0.35 0.00 0.00 41.96 42.11 1yws s TYR 23 CO -0.07 -0.11 1.79 -1.25 -1.34 0.00 0.00 175.55 174.57 1yws s PRO 24 N 0.96 4.13 -0.01 4.97 0.04 -1.26 -0.93 135.00 142.91 1yws s PRO 24 Ca -0.08 2.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 1yws s PRO 24 Cb -0.11 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1yws s PRO 24 CO -0.04 -0.81 0.02 0.00 0.04 0.00 0.00 177.00 176.22 1yws s PRO 26 N -0.19 3.93 0.00 0.00 0.05 -1.26 -4.51 135.00 133.01 1yws s PRO 26 Ca -0.02 0.26 0.00 0.00 0.05 0.00 0.00 61.00 61.29 1yws s PRO 26 Cb -0.01 -3.71 0.00 0.00 0.05 0.00 0.00 34.50 30.82 1yws s PRO 26 CO -0.00 -0.51 0.00 0.00 0.05 0.00 0.00 177.00 176.54 1yws n GLY 28 N 0.00 0.19 3.24 0.00 0.00 -1.26 -4.99 105.19 102.36 1yws n GLY 28 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.74 0.14 1.61 -1.08 -1.26 -5.15 116.67 111.68 1yws s ASP 29 Ca 0.00 -1.53 0.10 0.00 -0.52 0.00 0.00 52.55 50.60 1yws s ASP 29 Cb 0.00 0.45 -0.04 0.00 -1.46 0.00 0.00 42.92 41.87 1yws s ASP 29 CO 0.00 -0.93 -0.23 0.00 0.52 0.00 0.00 175.17 174.53 1yws s ARG 30 N -3.88 1.32 -0.03 4.34 1.04 -1.26 -4.26 118.95 116.22 1yws s ARG 30 Ca 0.40 -1.34 -0.38 0.00 -1.04 0.00 0.00 55.73 53.37 1yws s ARG 30 Cb 0.05 -1.65 -0.16 0.00 -2.04 0.00 0.00 34.95 31.15 1yws s ARG 30 CO 0.18 0.37 1.46 1.19 -0.04 0.00 0.00 175.30 178.46 1yws n PHE 31 N 0.74 1.66 -4.73 5.89 3.72 -0.10 -4.70 117.46 119.93 1yws n PHE 31 Ca -0.17 0.62 -0.24 0.00 -0.05 0.00 0.00 57.45 57.62 1yws n PHE 31 Cb 0.54 -2.36 -0.15 0.00 -0.94 0.00 0.00 39.48 36.57 1yws n PHE 31 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1yws s GLN 32 N 1.42 1.36 -0.13 -1.08 -2.07 -1.07 -1.36 119.66 116.73 1yws s GLN 32 Ca 0.89 -0.55 -0.08 0.00 -1.82 0.00 0.00 55.36 53.80 1yws s GLN 32 Cb -1.00 -1.27 0.05 0.00 -1.09 0.00 0.00 33.01 29.69 1yws s GLN 32 CO 0.53 0.30 0.32 -1.50 -1.32 0.00 0.00 175.29 173.62 1yws s ILE 33 N -0.23 -0.02 0.15 3.63 2.07 -0.90 -1.82 121.20 124.07 1yws s ILE 33 Ca 0.03 0.09 -0.19 0.00 -1.41 0.00 0.00 60.65 59.17 1yws s ILE 33 Cb -0.07 -0.48 -0.07 0.00 0.13 0.00 0.00 42.46 41.96 1yws s ILE 33 CO 0.00 0.04 0.65 -0.31 -1.91 0.00 0.00 174.94 173.40 1yws s TYR 34 N 1.00 3.73 0.35 3.50 2.02 -1.26 -2.43 117.35 124.25 1yws s TYR 34 Ca -0.07 1.32 0.11 0.00 -0.37 0.00 0.00 57.07 58.06 1yws s TYR 34 Cb -0.07 -2.55 0.64 0.00 -0.40 0.00 0.00 41.96 39.57 1yws s TYR 34 CO -0.07 0.46 1.79 1.25 -1.57 0.00 0.00 175.55 177.41 1yws h LEU 35 N 3.92 0.08 -1.76 -1.29 7.12 -1.96 -2.57 115.31 118.85 1yws h LEU 35 Ca -0.48 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.48 1yws h LEU 35 Cb 1.20 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 1yws h LEU 35 CO 0.65 0.45 0.01 -0.78 -0.13 0.00 0.00 178.44 178.64 1yws h ASP 36 N 0.07 0.14 0.68 1.25 3.58 -1.93 -0.26 116.42 119.94 1yws h ASP 36 Ca 0.01 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 1yws h ASP 36 Cb 0.70 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1yws h ASP 36 CO 0.05 0.17 -1.24 0.44 -2.88 0.00 0.00 179.24 175.78 1yws h ASP 37 N 0.16 0.33 -0.32 2.28 3.32 -1.79 -3.24 116.42 117.16 1yws h ASP 37 Ca 0.04 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1yws h ASP 37 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1yws h ASP 37 CO 0.00 1.29 0.04 0.24 -1.72 0.00 0.00 179.24 179.09 1yws h MET 38 N 0.06 0.64 0.00 3.56 2.86 -0.97 -0.75 114.93 120.33 1yws h MET 38 Ca -0.13 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1yws h MET 38 Cb 1.94 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.51 1yws h MET 38 CO 0.18 0.63 -0.03 0.35 1.06 0.00 0.00 176.91 179.10 1yws h PHE 39 N 0.61 0.00 0.00 -0.22 3.57 -1.15 -1.87 116.94 117.88 1yws h PHE 39 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1yws h PHE 39 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1yws h PHE 39 CO 0.01 0.03 0.00 0.39 -2.23 0.00 0.00 178.31 176.52 1yws n GLU 40 N -3.16 0.17 -0.08 1.11 -0.58 -0.30 -4.87 120.64 112.93 1yws n GLU 40 Ca -0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1yws n GLU 40 Cb 0.27 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 0.90 0.49 3.48 0.62 0.00 -0.70 -5.03 105.19 104.94 1yws n GLY 41 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.87 3.21 -0.39 1.61 2.56 -1.12 -5.00 118.70 118.70 1yws s GLU 42 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.97 54.33 1yws s GLU 42 Cb 0.00 -4.09 0.11 0.00 2.00 0.00 0.00 34.13 32.14 1yws s GLU 42 CO 0.00 -1.38 0.15 -1.59 -0.56 0.00 0.00 175.26 171.88 1yws s LYS 43 N 3.29 1.83 -0.29 4.30 0.00 -1.26 -3.54 119.74 124.06 1yws s LYS 43 Ca 0.22 -1.84 -0.16 0.00 0.00 0.00 0.00 55.97 54.19 1yws s LYS 43 Cb -0.16 -3.46 0.13 0.00 0.00 0.00 0.00 37.83 34.34 1yws s LYS 43 CO 0.15 -1.03 0.90 0.54 0.00 0.00 0.00 175.35 175.91 1yws s VAL 44 N 1.06 -0.03 -0.13 1.79 0.11 -1.26 -2.76 120.40 119.18 1yws s VAL 44 Ca 0.09 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1yws s VAL 44 Cb -0.22 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1yws s VAL 44 CO -0.05 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.85 1yws s ALA 45 N 1.47 3.86 -0.21 1.54 0.00 0.14 -4.83 121.76 123.72 1yws s ALA 45 Ca -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1yws s ALA 45 Cb -0.04 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1yws s ALA 45 CO -0.16 0.57 -0.11 0.08 0.00 0.00 0.00 175.76 176.15 1yws s VAL 46 N -0.89 2.77 -0.24 0.00 1.01 -0.76 -2.02 120.40 120.27 1yws s VAL 46 Ca 0.14 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1yws s VAL 46 Cb -0.12 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1yws s VAL 46 CO 0.03 0.42 0.60 0.00 0.00 0.00 0.00 175.10 176.16 1yws s PRO 48 N 2.31 3.21 0.00 0.00 0.04 -1.26 -0.98 135.00 138.32 1yws s PRO 48 Ca 0.26 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1yws s PRO 48 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1yws s PRO 48 CO 0.09 -0.90 0.00 0.43 0.04 0.00 0.00 177.00 176.66 1yws n SER 49 N -2.14 0.00 0.11 6.66 7.64 -1.26 -4.17 113.62 120.45 1yws n SER 49 Ca 0.09 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.98 1yws n SER 49 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 1yws n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yws n SER 51 N -3.17 -3.49 -4.61 0.00 2.88 -0.15 -5.01 113.62 100.06 1yws n SER 51 Ca -0.01 -0.27 -0.35 0.00 -1.33 0.00 0.00 58.87 56.92 1yws n SER 51 Cb 0.79 -2.67 -0.10 0.00 -0.75 0.00 0.00 64.21 61.47 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 -4.03 3.77 -0.06 2.46 2.96 -1.11 -4.91 118.68 117.77 1yws s LEU 52 Ca 0.20 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1yws s LEU 52 Cb -0.09 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1yws s LEU 52 CO 0.35 0.15 -0.20 -0.04 -1.32 0.00 0.00 176.35 175.29 1yws s MET 53 N 0.54 2.58 0.04 1.98 -1.94 -1.26 -0.97 119.30 120.27 1yws s MET 53 Ca 0.03 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1yws s MET 53 Cb -0.13 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1yws s MET 53 CO 0.01 0.47 -0.04 0.96 -0.01 0.00 0.00 175.02 176.41 1yws s ILE 54 N -0.36 0.29 0.41 2.53 -0.00 -0.86 -1.83 121.20 121.38 1yws s ILE 54 Ca 0.03 -1.23 -0.17 0.00 -0.00 0.00 0.00 60.65 59.28 1yws s ILE 54 Cb -0.12 -0.73 -0.09 0.00 -0.00 0.00 0.00 42.46 41.51 1yws s ILE 54 CO 0.02 -0.61 0.87 -0.62 -0.00 0.00 0.00 174.94 174.60 1yws s ASP 55 N -1.93 6.78 -0.19 4.36 -1.08 0.10 -0.69 116.67 124.03 1yws s ASP 55 Ca -0.07 1.48 -0.01 0.00 -0.52 0.00 0.00 52.55 53.43 1yws s ASP 55 Cb -0.05 -2.46 0.05 0.00 -1.46 0.00 0.00 42.92 39.00 1yws s ASP 55 CO -0.03 -0.36 -0.03 0.54 0.52 0.00 0.00 175.17 175.81 1yws s VAL 56 N -2.23 1.05 -0.11 1.11 0.11 -1.11 -0.96 120.40 118.26 1yws s VAL 56 Ca 0.58 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 1yws s VAL 56 Cb -0.10 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1yws s VAL 56 CO 0.20 0.00 1.61 -0.69 -3.33 0.00 0.00 175.10 172.89 1yws s VAL 57 N 1.64 3.68 0.19 2.04 1.01 0.14 -4.78 120.40 124.32 1yws s VAL 57 Ca -0.01 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1yws s VAL 57 Cb -0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1yws s VAL 57 CO -0.07 -0.12 -0.01 0.72 0.00 0.00 0.00 175.10 175.62 1yws s PHE 58 N 4.33 1.34 0.08 5.22 -0.71 -1.26 -0.10 117.98 126.88 1yws s PHE 58 Ca 0.71 -0.97 0.01 0.00 -1.04 0.00 0.00 56.93 55.64 1yws s PHE 58 Cb -0.30 -0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 1yws s PHE 58 CO 0.28 -0.14 -0.05 0.34 -1.34 0.00 0.00 175.22 174.31 1yws s ASP 59 N -3.22 0.92 0.29 1.98 -1.08 -1.26 -5.02 116.67 109.28 1yws s ASP 59 Ca 0.25 -1.00 -0.02 0.00 -0.52 0.00 0.00 52.55 51.26 1yws s ASP 59 Cb 0.06 0.13 0.41 0.00 -1.46 0.00 0.00 42.92 42.06 1yws s ASP 59 CO 0.05 -0.51 1.88 0.11 0.52 0.00 0.00 175.17 177.23 1yws h LYS 60 N 3.04 0.95 -0.36 4.34 6.56 -2.01 0.28 116.57 129.37 1yws h LYS 60 Ca -0.35 -0.13 -0.03 0.00 -1.06 0.00 0.00 60.65 59.08 1yws h LYS 60 Cb 1.16 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 1yws h LYS 60 CO 0.65 0.74 0.11 0.93 -2.06 0.00 0.00 179.45 179.82 1yws h GLU 61 N 0.95 0.57 -0.34 3.15 5.08 -1.96 -1.74 114.58 120.28 1yws h GLU 61 Ca 0.23 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1yws h GLU 61 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1yws h GLU 61 CO -0.03 0.59 0.11 -0.44 -1.00 0.00 0.00 179.01 178.24 1yws h ASP 62 N 0.43 0.49 0.03 1.42 5.19 -1.84 -2.88 116.42 119.26 1yws h ASP 62 Ca 0.12 -0.20 0.03 0.00 -0.62 0.00 0.00 57.03 56.35 1yws h ASP 62 Cb 0.27 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 1yws h ASP 62 CO -0.00 0.56 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.38 1yws h LEU 63 N 0.39 -0.67 -0.76 1.55 3.38 -0.31 -0.39 115.31 118.51 1yws h LEU 63 Ca 0.11 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1yws h LEU 63 Cb 0.25 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1yws h LEU 63 CO -0.00 -0.30 0.42 0.00 0.09 0.00 0.00 178.44 178.64 1yws h ALA 64 N 0.46 1.07 -0.01 1.53 0.00 -1.31 0.49 119.26 121.50 1yws h ALA 64 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yws h ALA 64 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yws h ALA 64 CO -0.18 0.04 0.00 1.49 0.00 0.00 0.00 179.25 180.59 1yws h GLU 65 N 0.71 0.01 -0.12 0.00 4.81 -1.23 -2.92 114.58 115.83 1yws h GLU 65 Ca 0.37 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1yws h GLU 65 Cb 0.35 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1yws h GLU 65 CO -0.25 0.32 -0.34 1.88 -0.73 0.00 0.00 179.01 179.89 1yws h TYR 66 N -0.30 0.27 -0.77 0.92 0.05 -0.62 -2.06 116.97 114.47 1yws h TYR 66 Ca 0.00 -0.06 0.15 0.00 0.05 0.00 0.00 58.73 58.87 1yws h TYR 66 Cb 0.31 -0.06 -0.10 0.00 1.01 0.00 0.00 36.73 37.89 1yws h TYR 66 CO 0.03 0.55 0.30 1.88 -1.05 0.00 0.00 178.16 179.87 1yws h TYR 67 N 0.21 0.51 -0.03 4.88 -1.99 0.06 0.41 116.97 121.01 1yws h TYR 67 Ca 0.03 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 1yws h TYR 67 Cb 0.70 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.32 1yws h TYR 67 CO 0.01 0.04 0.01 0.93 -0.00 0.00 0.00 178.16 179.15 1yws h GLU 68 N 0.43 0.05 -0.11 4.88 5.08 -1.19 -0.26 114.58 123.45 1yws h GLU 68 Ca 0.43 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1yws h GLU 68 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1yws h GLU 68 CO -0.43 0.20 -0.40 0.93 -1.00 0.00 0.00 179.01 178.30 1yws h GLU 69 N -0.10 0.25 0.00 2.33 5.08 -1.00 -2.32 114.58 118.82 1yws h GLU 69 Ca 0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1yws h GLU 69 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1yws h GLU 69 CO -0.00 0.62 -0.09 0.00 -1.00 0.00 0.00 179.01 178.53 1yws n ALA 70 N -2.47 2.52 -2.56 3.43 0.00 0.14 -4.68 120.51 116.88 1yws n ALA 70 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1yws n ALA 70 Cb 0.47 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.52 1yws n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yws n GLY 71 N 1.48 0.56 3.97 0.00 0.00 -0.84 -4.12 105.19 106.24 1yws n GLY 71 Ca 0.07 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.86 2.45 -0.08 -0.61 1.01 -0.17 -4.98 121.20 115.97 1yws s ILE 72 Ca 0.09 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1yws s ILE 72 Cb -0.04 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1yws s ILE 72 CO 0.11 0.00 1.68 -2.28 0.00 0.00 0.00 174.94 174.44 1yws s HIS 73 N -2.94 1.94 -0.11 3.97 5.65 -1.26 -4.78 115.29 117.76 1yws s HIS 73 Ca 0.61 0.22 -0.39 0.00 0.25 0.00 0.00 55.06 55.75 1yws s HIS 73 Cb -0.09 -3.94 -0.16 0.00 -1.18 0.00 0.00 32.58 27.21 1yws s HIS 73 CO 0.41 -3.80 1.55 -2.30 -0.65 0.00 0.00 174.74 169.95 1yws n PRO 74 N 7.26 1.12 -2.08 2.88 -0.02 -1.26 -4.90 135.00 138.00 1yws n PRO 74 Ca 0.18 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 1yws n PRO 74 Cb 0.43 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1yws n PRO 74 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yws s PRO 75 N 2.11 3.09 0.81 0.52 0.02 -1.26 -5.04 135.00 135.24 1yws s PRO 75 Ca 0.92 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 63.60 1yws s PRO 75 Cb -1.03 -1.96 0.08 0.00 0.02 0.00 0.00 34.50 31.60 1yws s PRO 75 CO 0.57 -1.10 1.11 -1.21 -0.33 0.00 0.00 177.00 176.04 1yws s GLU 76 N -3.30 2.01 0.27 5.54 0.41 -1.26 -4.97 118.70 117.39 1yws s GLU 76 Ca 0.76 0.56 -0.29 0.00 -0.41 0.00 0.00 54.97 55.58 1yws s GLU 76 Cb -0.29 -1.92 -0.14 0.00 -1.78 0.00 0.00 34.13 30.00 1yws s GLU 76 CO 0.32 -1.66 1.12 -2.30 -0.49 0.00 0.00 175.26 172.25 1yws n PRO 77 N -3.44 1.50 -4.68 0.39 -0.02 -1.26 -4.99 135.00 122.49 1yws n PRO 77 Ca 0.07 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1yws n PRO 77 Cb 0.57 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1yws s ILE 78 N -0.78 1.29 -1.69 4.25 -4.36 -1.26 -5.02 121.20 113.62 1yws s ILE 78 Ca 0.62 -1.96 0.11 0.00 -0.26 0.00 0.00 60.65 59.15 1yws s ILE 78 Cb -0.70 -2.25 0.36 0.00 1.25 0.00 0.00 42.46 41.11 1yws s ILE 78 CO 0.58 0.00 1.25 0.00 0.24 0.00 0.00 174.94 177.00 1yws n ALA 79 N -1.27 2.61 -3.26 2.27 0.00 -1.26 -4.71 120.51 114.89 1yws n ALA 79 Ca -0.17 -0.74 -0.38 0.00 0.00 0.00 0.00 53.44 52.16 1yws n ALA 79 Cb 0.67 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.58 3.07 -1.64 0.00 0.00 -1.26 -4.92 121.76 115.43 1yws s ALA 80 Ca 0.26 -1.82 0.19 0.00 0.00 0.00 0.00 51.96 50.59 1yws s ALA 80 Cb 0.15 -2.31 0.57 0.00 0.00 0.00 0.00 23.12 21.53 1yws s ALA 80 CO 0.15 -1.39 1.48 0.00 0.00 0.00 0.00 175.76 176.00 1yws n ALA 81 N 4.81 2.39 -0.81 0.00 0.00 -1.26 -4.97 120.51 120.66 1yws n ALA 81 Ca -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1yws n ALA 81 Cb 0.44 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50