#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 0.92 -0.56 3.17 0.01 -1.26 -5.11 113.70 110.87 1yws s SER 2 Ca 0.00 -1.50 -0.21 0.00 1.31 0.00 0.00 55.95 55.55 1yws s SER 2 Cb 0.00 0.57 0.06 0.00 0.21 0.00 0.00 66.02 66.86 1yws s SER 2 CO 0.00 -1.13 0.79 0.42 0.41 0.00 0.00 173.24 173.73 1yws s THR 3 N -3.46 4.62 -0.80 1.44 -4.23 -1.26 -4.66 115.64 107.29 1yws s THR 3 Ca 0.34 -0.29 0.23 0.00 -1.18 0.00 0.00 61.69 60.79 1yws s THR 3 Cb 0.02 -4.47 -0.12 0.00 1.34 0.00 0.00 72.50 69.27 1yws s THR 3 CO 0.20 -1.06 1.07 -1.22 -0.54 0.00 0.00 174.62 173.07 1yws n TYR 4 N 6.87 0.12 -4.31 3.99 4.02 -1.26 -4.86 117.16 121.72 1yws n TYR 4 Ca -0.04 0.03 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1yws n TYR 4 Cb 0.46 -0.27 -0.11 0.00 -0.02 0.00 0.00 39.34 39.39 1yws n TYR 4 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1yws s ASP 5 N -3.46 2.54 -0.22 7.72 1.11 -1.26 -5.07 116.67 118.03 1yws s ASP 5 Ca 0.06 -0.85 -0.04 0.00 0.18 0.00 0.00 52.55 51.90 1yws s ASP 5 Cb 0.16 -0.14 0.11 0.00 1.07 0.00 0.00 42.92 44.12 1yws s ASP 5 CO 0.80 -0.06 0.39 -0.70 1.18 0.00 0.00 175.17 176.78 1yws s GLU 6 N -2.78 0.33 0.22 8.23 2.12 -1.26 -0.85 118.70 124.71 1yws s GLU 6 Ca 0.14 0.74 0.07 0.00 0.36 0.00 0.00 54.97 56.28 1yws s GLU 6 Cb -0.05 -0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 1yws s GLU 6 CO 0.06 -0.47 -0.10 0.42 -0.54 0.00 0.00 175.26 174.63 1yws s ILE 7 N 2.57 1.56 0.42 -3.70 1.09 0.08 -4.96 121.20 118.25 1yws s ILE 7 Ca 0.07 -2.15 -0.22 0.00 -1.10 0.00 0.00 60.65 57.25 1yws s ILE 7 Cb -0.14 -2.15 -0.10 0.00 -1.06 0.00 0.00 42.46 39.01 1yws s ILE 7 CO -0.14 -0.51 0.98 -1.61 -0.10 0.00 0.00 174.94 173.55 1yws s GLU 8 N -3.70 4.20 0.54 2.79 2.02 -1.26 0.30 118.70 123.58 1yws s GLU 8 Ca 0.24 1.24 0.23 0.00 0.02 0.00 0.00 54.97 56.70 1yws s GLU 8 Cb 0.02 -2.30 1.42 0.00 0.10 0.00 0.00 34.13 33.36 1yws s GLU 8 CO 0.07 -0.07 2.08 0.97 0.02 0.00 0.00 175.26 178.33 1yws h ILE 9 N 1.99 0.76 0.00 -1.63 2.10 -0.90 -1.18 117.51 118.64 1yws h ILE 9 Ca -0.49 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.42 1yws h ILE 9 Cb 1.19 0.85 -0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1yws h ILE 9 CO 0.61 0.00 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.21 1yws h GLU 10 N 0.00 0.00 0.01 2.19 5.08 -1.92 -2.77 114.58 117.17 1yws h GLU 10 Ca 0.13 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.29 1yws h GLU 10 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1yws h GLU 10 CO -0.00 0.15 -0.92 0.22 -1.00 0.00 0.00 179.01 177.46 1yws h ASP 11 N 0.00 0.11 -3.80 1.42 3.58 -1.60 -3.45 116.42 112.67 1yws h ASP 11 Ca -0.00 -0.10 -0.45 0.00 0.42 0.00 0.00 57.03 56.90 1yws h ASP 11 Cb 0.29 -0.03 0.16 0.00 1.72 0.00 0.00 39.33 41.47 1yws h ASP 11 CO 0.02 0.96 0.18 -0.04 -2.88 0.00 0.00 179.24 177.48 1yws s MET 12 N -3.01 0.15 -0.24 0.28 -1.94 -1.05 -5.03 119.30 108.47 1yws s MET 12 Ca -0.01 0.45 -0.07 0.00 -1.71 0.00 0.00 55.69 54.35 1yws s MET 12 Cb 0.10 -1.71 -0.03 0.00 2.01 0.00 0.00 34.83 35.21 1yws s MET 12 CO 0.82 -2.90 0.05 0.99 -0.01 0.00 0.00 175.02 173.96 1yws s THR 13 N -2.95 4.22 0.33 2.05 2.01 0.27 -4.95 115.64 116.62 1yws s THR 13 Ca 0.66 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 1yws s THR 13 Cb -0.18 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.28 1yws s THR 13 CO 0.58 0.36 1.08 0.72 -0.69 0.00 0.00 174.62 176.67 1yws s PHE 14 N 1.44 3.44 -0.33 4.92 -0.71 -1.26 0.11 117.98 125.59 1yws s PHE 14 Ca 0.05 1.68 -0.01 0.00 -1.04 0.00 0.00 56.93 57.60 1yws s PHE 14 Cb -0.15 -3.22 0.13 0.00 -1.21 0.00 0.00 43.02 38.56 1yws s PHE 14 CO 0.03 -0.60 0.18 -2.00 -1.34 0.00 0.00 175.22 171.49 1yws s GLU 15 N -1.90 0.41 0.54 1.99 2.12 -0.35 -4.87 118.70 116.65 1yws s GLU 15 Ca 0.50 -1.03 0.35 0.00 0.36 0.00 0.00 54.97 55.16 1yws s GLU 15 Cb -0.28 -1.25 1.66 0.00 0.26 0.00 0.00 34.13 34.52 1yws s GLU 15 CO 0.35 -1.14 2.06 -1.00 -0.54 0.00 0.00 175.26 174.99 1yws h PRO 16 N 7.53 0.00 -0.46 4.30 0.13 -1.91 -0.78 132.00 140.81 1yws h PRO 16 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1yws h PRO 16 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1yws h PRO 16 CO 0.33 0.00 0.20 0.93 -0.23 0.00 0.00 178.00 179.22 1yws h GLU 17 N 0.00 0.64 -0.19 0.86 3.07 -1.92 -2.61 114.58 114.43 1yws h GLU 17 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1yws h GLU 17 Cb 0.30 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1yws h GLU 17 CO 0.00 0.52 0.00 0.09 -1.40 0.00 0.00 179.01 178.22 1yws n ASN 18 N -4.37 2.43 -2.61 1.42 3.02 -0.87 -4.98 115.26 109.29 1yws n ASN 18 Ca 0.03 -1.77 -0.20 0.00 -0.03 0.00 0.00 54.58 52.62 1yws n ASN 18 Cb 0.14 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 0.48 -2.68 -3.77 3.52 3.00 -0.38 -4.95 117.38 112.61 1yws n GLN 19 Ca 0.09 0.89 -0.10 0.00 -0.01 0.00 0.00 57.00 57.87 1yws n GLN 19 Cb 0.35 -5.60 -0.05 0.00 0.00 0.00 0.00 30.24 24.94 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 -5.26 1.18 0.01 -1.09 0.23 -0.73 -4.35 119.30 109.29 1yws s MET 20 Ca 0.10 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.69 1yws s MET 20 Cb -0.04 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 33.65 1yws s MET 20 CO 0.12 -0.47 0.49 -0.06 -2.03 0.00 0.00 175.02 173.07 1yws s PHE 21 N -3.87 3.73 0.02 3.16 0.40 -1.23 -1.21 117.98 118.97 1yws s PHE 21 Ca 0.09 1.09 0.05 0.00 -0.60 0.00 0.00 56.93 57.56 1yws s PHE 21 Cb 0.01 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 1yws s PHE 21 CO -0.06 0.54 -0.15 0.95 0.70 0.00 0.00 175.22 177.21 1yws s THR 22 N -0.80 1.16 -0.24 0.64 -4.23 0.12 -2.39 115.64 109.89 1yws s THR 22 Ca 0.26 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1yws s THR 22 Cb -0.18 -1.01 0.01 0.00 1.34 0.00 0.00 72.50 72.66 1yws s THR 22 CO 0.15 0.13 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.86 1yws s TYR 23 N -0.66 3.03 -0.23 3.99 5.04 0.38 -0.57 117.35 128.33 1yws s TYR 23 Ca 0.03 -1.22 -0.35 0.00 -2.44 0.00 0.00 57.07 53.09 1yws s TYR 23 Cb -0.07 -2.11 -0.12 0.00 0.35 0.00 0.00 41.96 40.01 1yws s TYR 23 CO 0.01 -0.64 1.98 -2.30 -1.34 0.00 0.00 175.55 173.26 1yws n PRO 24 N 4.75 1.57 -3.93 4.97 -0.02 -1.26 -1.06 135.00 140.02 1yws n PRO 24 Ca -0.17 0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1yws n PRO 24 Cb 0.49 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 1yws n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yws s PRO 26 N 1.39 4.17 0.00 0.00 0.05 -1.26 -4.27 135.00 135.07 1yws s PRO 26 Ca -0.04 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.06 1yws s PRO 26 Cb -0.13 -3.66 0.00 0.00 0.05 0.00 0.00 34.50 30.75 1yws s PRO 26 CO -0.03 -0.62 0.00 0.00 0.05 0.00 0.00 177.00 176.40 1yws n GLY 28 N -0.68 0.36 3.34 0.00 0.00 -1.26 -4.87 105.19 102.08 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 0.76 0.07 1.61 2.15 -1.26 -5.06 116.67 114.95 1yws s ASP 29 Ca 0.00 -1.47 0.10 0.00 0.43 0.00 0.00 52.55 51.61 1yws s ASP 29 Cb 0.00 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 1yws s ASP 29 CO 0.00 -1.05 -0.26 0.00 -0.17 0.00 0.00 175.17 173.69 1yws s ARG 30 N -3.68 1.67 -0.39 4.34 1.70 -1.26 -4.33 118.95 117.00 1yws s ARG 30 Ca 0.36 -1.19 -0.43 0.00 -0.47 0.00 0.00 55.73 54.00 1yws s ARG 30 Cb 0.03 -1.96 -0.17 0.00 -0.57 0.00 0.00 34.95 32.28 1yws s ARG 30 CO 0.18 0.49 1.76 1.19 -1.08 0.00 0.00 175.30 177.84 1yws n PHE 31 N 1.48 1.83 -4.87 5.89 3.72 -0.22 -4.66 117.46 120.64 1yws n PHE 31 Ca -0.17 0.78 -0.33 0.00 -0.05 0.00 0.00 57.45 57.68 1yws n PHE 31 Cb 0.52 -2.36 -0.14 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 3.76 2.76 -0.04 -1.08 -2.07 0.88 -0.47 119.66 123.41 1yws s GLN 32 Ca 1.04 -0.70 0.01 0.00 -1.82 0.00 0.00 55.36 53.89 1yws s GLN 32 Cb -1.26 -2.45 0.02 0.00 -1.09 0.00 0.00 33.01 28.23 1yws s GLN 32 CO 0.71 0.50 -0.04 -1.50 -1.32 0.00 0.00 175.29 173.64 1yws s ILE 33 N -0.40 0.49 -0.11 3.63 2.07 -1.01 -0.97 121.20 124.91 1yws s ILE 33 Ca 0.05 -0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 58.93 1yws s ILE 33 Cb -0.12 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 1yws s ILE 33 CO 0.02 0.21 0.82 -0.31 -1.91 0.00 0.00 174.94 173.77 1yws s TYR 34 N 0.92 3.51 0.39 3.50 2.02 -1.26 -3.52 117.35 122.92 1yws s TYR 34 Ca -0.11 1.34 0.07 0.00 -0.37 0.00 0.00 57.07 58.00 1yws s TYR 34 Cb -0.14 -2.97 0.78 0.00 -0.40 0.00 0.00 41.96 39.23 1yws s TYR 34 CO -0.00 -0.10 1.97 1.25 -1.57 0.00 0.00 175.55 177.10 1yws h LEU 35 N 7.56 0.38 -1.55 -1.29 7.12 -1.96 -1.45 115.31 124.12 1yws h LEU 35 Ca -0.35 -0.05 0.05 0.00 0.13 0.00 0.00 57.88 57.66 1yws h LEU 35 Cb 1.17 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.17 1yws h LEU 35 CO 0.80 0.40 0.37 -0.78 -0.13 0.00 0.00 178.44 179.10 1yws h ASP 36 N 0.41 0.50 0.59 1.25 3.58 -1.91 -1.55 116.42 119.29 1yws h ASP 36 Ca 0.10 -0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.27 1yws h ASP 36 Cb 0.18 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1yws h ASP 36 CO -0.00 0.33 -1.53 0.44 -2.88 0.00 0.00 179.24 175.60 1yws h ASP 37 N 0.57 0.06 -0.59 2.28 5.19 -1.66 -3.34 116.42 118.94 1yws h ASP 37 Ca 0.23 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1yws h ASP 37 Cb 0.20 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1yws h ASP 37 CO -0.06 1.09 0.12 0.24 -3.12 0.00 0.00 179.24 177.51 1yws h MET 38 N 0.01 0.97 0.00 3.56 2.86 -0.63 -2.15 114.93 119.55 1yws h MET 38 Ca -0.22 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 1yws h MET 38 Cb 1.96 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.49 1yws h MET 38 CO 0.10 0.90 -0.08 0.35 1.06 0.00 0.00 176.91 179.24 1yws h PHE 39 N 0.87 0.00 0.00 -0.22 3.57 -1.45 -0.47 116.94 119.24 1yws h PHE 39 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1yws h PHE 39 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1yws h PHE 39 CO 0.03 0.08 0.00 0.39 -2.23 0.00 0.00 178.31 176.58 1yws n GLU 40 N -3.77 0.03 0.00 1.11 -0.58 -0.83 -4.88 120.64 111.72 1yws n GLU 40 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1yws n GLU 40 Cb 0.18 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.08 0.55 3.73 0.62 0.00 -0.19 -5.08 105.19 105.91 1yws n GLY 41 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.69 4.37 -0.29 1.61 2.56 -1.06 -5.02 118.70 120.18 1yws s GLU 42 Ca 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 54.97 55.60 1yws s GLU 42 Cb 0.00 -3.42 0.10 0.00 2.00 0.00 0.00 34.13 32.81 1yws s GLU 42 CO 0.00 0.17 0.12 -1.59 -0.56 0.00 0.00 175.26 173.40 1yws s LYS 43 N 0.53 0.34 -0.29 4.30 0.00 -1.26 -3.30 119.74 120.05 1yws s LYS 43 Ca 0.31 -0.67 -0.16 0.00 0.00 0.00 0.00 55.97 55.45 1yws s LYS 43 Cb -0.17 -1.41 0.13 0.00 0.00 0.00 0.00 37.83 36.38 1yws s LYS 43 CO 0.14 -1.00 0.90 0.54 0.00 0.00 0.00 175.35 175.93 1yws s VAL 44 N 1.96 -0.07 -0.12 1.79 0.11 -1.26 -2.88 120.40 119.93 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 -0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1yws s VAL 44 CO -0.33 0.00 0.13 0.00 -3.33 0.00 0.00 175.10 171.57 1yws s ALA 45 N 1.54 3.85 -0.06 1.54 0.00 0.24 -4.76 121.76 124.12 1yws s ALA 45 Ca -0.09 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1yws s ALA 45 Cb -0.04 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1yws s ALA 45 CO -0.16 0.61 -0.22 0.54 0.00 0.00 0.00 175.76 176.52 1yws s VAL 46 N -0.99 2.30 -0.30 0.00 0.11 -0.14 -1.53 120.40 119.85 1yws s VAL 46 Ca 0.15 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 58.12 1yws s VAL 46 Cb -0.12 -1.86 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1yws s VAL 46 CO 0.04 0.57 0.14 0.00 -3.33 0.00 0.00 175.10 172.52 1yws s PRO 48 N 1.63 2.69 0.00 0.00 0.04 -1.26 -0.79 135.00 137.30 1yws s PRO 48 Ca 0.05 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1yws s PRO 48 Cb -0.17 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1yws s PRO 48 CO 0.06 -1.32 0.00 0.43 0.04 0.00 0.00 177.00 176.21 1yws n SER 49 N -2.75 0.00 0.00 6.66 7.64 -1.26 -4.09 113.62 119.82 1yws n SER 49 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 1yws n SER 49 Cb 0.52 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.91 -5.21 -4.08 0.00 2.88 0.03 -5.08 113.62 99.25 1yws n SER 51 Ca -0.13 0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.31 1yws n SER 51 Cb 0.92 -3.38 -0.12 0.00 -0.75 0.00 0.00 64.21 60.88 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 -2.76 2.22 -0.02 2.46 2.96 -1.08 -4.95 118.68 117.51 1yws s LEU 52 Ca 0.04 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1yws s LEU 52 Cb -0.01 -0.27 -0.00 0.00 0.50 0.00 0.00 46.19 46.40 1yws s LEU 52 CO 0.41 -0.13 -0.11 -0.04 -1.32 0.00 0.00 176.35 175.16 1yws s MET 53 N -1.40 1.03 0.03 1.98 -1.94 -1.26 -0.21 119.30 117.53 1yws s MET 53 Ca -0.06 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 1yws s MET 53 Cb -0.09 -0.97 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 1yws s MET 53 CO 0.01 0.19 -0.04 0.96 -0.01 0.00 0.00 175.02 176.13 1yws s ILE 54 N -0.04 0.25 0.33 2.53 -0.00 -0.58 -4.13 121.20 119.55 1yws s ILE 54 Ca 0.00 -1.17 -0.24 0.00 -0.00 0.00 0.00 60.65 59.24 1yws s ILE 54 Cb -0.07 -0.65 -0.10 0.00 -0.00 0.00 0.00 42.46 41.65 1yws s ILE 54 CO 0.00 -0.59 0.91 -0.62 -0.00 0.00 0.00 174.94 174.64 1yws s ASP 55 N -1.85 7.21 -0.13 4.36 -1.08 -0.03 -0.59 116.67 124.56 1yws s ASP 55 Ca -0.09 1.74 -0.02 0.00 -0.52 0.00 0.00 52.55 53.66 1yws s ASP 55 Cb -0.06 -2.55 0.04 0.00 -1.46 0.00 0.00 42.92 38.90 1yws s ASP 55 CO -0.03 -0.11 0.01 -0.69 0.52 0.00 0.00 175.17 174.86 1yws s VAL 56 N -1.72 0.55 -0.47 1.11 1.01 -1.14 -0.74 120.40 118.99 1yws s VAL 56 Ca 0.52 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1yws s VAL 56 Cb -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1yws s VAL 56 CO 0.21 0.06 1.50 -0.69 0.00 0.00 0.00 175.10 176.18 1yws s VAL 57 N 1.88 3.76 0.41 2.92 1.01 0.15 -4.69 120.40 125.83 1yws s VAL 57 Ca 0.02 0.71 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1yws s VAL 57 Cb -0.15 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 1yws s VAL 57 CO -0.07 -0.88 0.59 0.72 0.00 0.00 0.00 175.10 175.46 1yws s PHE 58 N 6.15 3.14 0.05 5.22 -0.12 -1.26 -0.22 117.98 130.95 1yws s PHE 58 Ca 0.61 0.02 0.07 0.00 -0.05 0.00 0.00 56.93 57.57 1yws s PHE 58 Cb -0.14 -2.21 -0.03 0.00 -0.63 0.00 0.00 43.02 40.01 1yws s PHE 58 CO 0.29 -0.25 -0.16 0.34 -0.05 0.00 0.00 175.22 175.39 1yws s ASP 59 N -4.22 3.98 0.22 1.98 -1.08 -1.26 -4.96 116.67 111.33 1yws s ASP 59 Ca 0.48 -0.40 -0.08 0.00 -0.52 0.00 0.00 52.55 52.03 1yws s ASP 59 Cb -0.10 -0.69 0.16 0.00 -1.46 0.00 0.00 42.92 40.84 1yws s ASP 59 CO 0.35 0.24 1.79 0.11 0.52 0.00 0.00 175.17 178.18 1yws h LYS 60 N 4.33 1.21 0.05 4.34 1.57 -2.00 -2.03 116.57 124.04 1yws h LYS 60 Ca -0.48 -0.21 -0.26 0.00 -1.87 0.00 0.00 60.65 57.83 1yws h LYS 60 Cb 1.16 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 33.29 1yws h LYS 60 CO 0.49 0.96 -1.04 0.93 -0.57 0.00 0.00 179.45 180.22 1yws h GLU 61 N 1.18 0.62 -0.12 3.15 5.08 -1.99 -2.91 114.58 119.59 1yws h GLU 61 Ca 0.27 -0.73 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1yws h GLU 61 Cb 0.19 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1yws h GLU 61 CO -0.03 1.31 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.59 1yws h ASP 62 N 0.25 0.21 0.22 1.42 3.32 -1.96 -0.46 116.42 119.41 1yws h ASP 62 Ca -0.14 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1yws h ASP 62 Cb 1.72 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1yws h ASP 62 CO 0.20 0.49 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.04 1yws h LEU 63 N 0.20 -0.25 -0.43 1.55 3.38 -1.38 -1.12 115.31 117.25 1yws h LEU 63 Ca 0.03 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1yws h LEU 63 Cb 0.59 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1yws h LEU 63 CO 0.04 0.11 0.25 0.00 0.09 0.00 0.00 178.44 178.94 1yws h ALA 64 N 0.02 0.54 -0.87 1.53 0.00 -1.31 -0.47 119.26 118.70 1yws h ALA 64 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yws h ALA 64 Cb 0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1yws h ALA 64 CO 0.05 -0.07 0.57 1.49 0.00 0.00 0.00 179.25 181.29 1yws h GLU 65 N 0.51 1.10 -0.35 0.00 4.81 -1.14 -2.25 114.58 117.27 1yws h GLU 65 Ca 0.17 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1yws h GLU 65 Cb 0.01 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1yws h GLU 65 CO -0.08 0.73 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.90 1yws h TYR 66 N 1.13 0.64 -0.52 0.92 3.20 -0.37 -1.17 116.97 120.81 1yws h TYR 66 Ca 0.34 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 62.20 1yws h TYR 66 Cb -0.05 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 37.97 1yws h TYR 66 CO -0.02 0.68 0.05 1.88 -1.64 0.00 0.00 178.16 179.12 1yws h TYR 67 N 0.55 0.07 0.00 -3.82 0.05 -0.50 0.41 116.97 113.73 1yws h TYR 67 Ca 0.10 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.81 1yws h TYR 67 Cb 0.51 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1yws h TYR 67 CO 0.02 -0.07 -0.48 0.93 -1.05 0.00 0.00 178.16 177.51 1yws h GLU 68 N 0.18 0.00 -0.02 4.88 5.08 -1.30 0.80 114.58 124.19 1yws h GLU 68 Ca 0.26 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1yws h GLU 68 Cb 0.38 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1yws h GLU 68 CO -0.39 0.48 -0.60 0.93 -1.00 0.00 0.00 179.01 178.43 1yws h GLU 69 N 0.00 0.44 0.00 2.33 4.39 -0.21 -3.27 114.58 118.26 1yws h GLU 69 Ca -0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1yws h GLU 69 Cb 1.08 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1yws h GLU 69 CO 0.06 1.10 -0.01 0.00 -1.16 0.00 0.00 179.01 179.00 1yws n ALA 70 N -2.58 2.32 -2.33 3.43 0.00 0.13 -4.92 120.51 116.57 1yws n ALA 70 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1yws n ALA 70 Cb 0.67 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.39 0.95 4.01 0.00 0.00 -0.77 -4.74 105.19 106.03 1yws n GLY 71 Ca 0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.93 2.12 0.25 -0.61 1.01 0.20 -5.04 121.20 116.20 1yws s ILE 72 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1yws s ILE 72 Cb 0.00 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 1yws s ILE 72 CO 0.00 0.00 1.22 -1.00 0.00 0.00 0.00 174.94 175.16 1yws s HIS 73 N -2.98 3.34 -0.20 3.97 3.76 -1.26 -4.75 115.29 117.18 1yws s HIS 73 Ca 0.65 1.46 -0.38 0.00 -0.15 0.00 0.00 55.06 56.64 1yws s HIS 73 Cb -0.05 -3.49 -0.15 0.00 1.11 0.00 0.00 32.58 30.01 1yws s HIS 73 CO 0.43 -1.32 1.76 -0.35 -0.85 0.00 0.00 174.74 174.40 1yws n PRO 74 N 1.74 1.45 -1.45 8.40 -0.04 -1.26 -4.95 135.00 138.89 1yws n PRO 74 Ca 0.02 0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 63.71 1yws n PRO 74 Cb 0.44 -2.26 0.10 0.00 -0.04 0.00 0.00 33.50 31.74 1yws n PRO 74 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1yws s PRO 75 N 3.46 1.95 0.16 0.54 0.04 -1.26 -5.00 135.00 134.89 1yws s PRO 75 Ca 0.96 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 1yws s PRO 75 Cb -0.96 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 1yws s PRO 75 CO 0.60 -1.74 1.17 -1.21 0.04 0.00 0.00 177.00 175.87 1yws s GLU 76 N -5.07 4.51 0.30 4.56 2.02 -1.26 -4.95 118.70 118.80 1yws s GLU 76 Ca 0.61 1.82 -0.28 0.00 0.02 0.00 0.00 54.97 57.14 1yws s GLU 76 Cb -0.15 -3.27 -0.13 0.00 0.10 0.00 0.00 34.13 30.67 1yws s GLU 76 CO 0.55 -0.08 1.13 -0.35 0.02 0.00 0.00 175.26 176.53 1yws n PRO 77 N 2.71 1.64 -3.47 0.39 -0.04 -1.26 -5.00 135.00 129.97 1yws n PRO 77 Ca 0.05 0.58 -0.20 0.00 -0.04 0.00 0.00 63.50 63.89 1yws n PRO 77 Cb 0.45 -2.04 -0.02 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.99 3.13 -1.03 0.52 -4.36 -1.26 -5.04 121.20 112.17 1yws s ILE 78 Ca 0.58 -1.22 -0.18 0.00 -0.26 0.00 0.00 60.65 59.57 1yws s ILE 78 Cb -0.66 -3.09 0.13 0.00 1.25 0.00 0.00 42.46 40.08 1yws s ILE 78 CO 0.60 -0.06 1.28 0.00 0.24 0.00 0.00 174.94 177.00 1yws s ALA 79 N -2.37 3.42 -0.48 2.27 0.00 -1.26 -4.95 121.76 118.40 1yws s ALA 79 Ca 0.48 -2.85 -0.11 0.00 0.00 0.00 0.00 51.96 49.48 1yws s ALA 79 Cb -0.06 -4.17 0.11 0.00 0.00 0.00 0.00 23.12 19.00 1yws s ALA 79 CO 0.29 -3.04 0.36 0.00 0.00 0.00 0.00 175.76 173.38 1yws s ALA 80 N 2.83 3.44 -0.11 0.00 0.00 -1.26 -4.89 121.76 121.77 1yws s ALA 80 Ca 0.38 -2.43 0.20 0.00 0.00 0.00 0.00 51.96 50.11 1yws s ALA 80 Cb -0.03 -2.90 -0.28 0.00 0.00 0.00 0.00 23.12 19.90 1yws s ALA 80 CO -0.06 -1.86 0.34 0.00 0.00 0.00 0.00 175.76 174.18 1yws n ALA 81 N 5.01 2.18 -0.22 0.00 0.00 -1.26 -5.25 120.51 120.96 1yws n ALA 81 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1yws n ALA 81 Cb 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50