#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 5.33 -0.09 7.83 0.01 -1.26 -5.06 113.70 120.45 1yws s SER 2 Ca 0.00 -0.35 -0.27 0.00 1.31 0.00 0.00 55.95 56.64 1yws s SER 2 Cb 0.00 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1yws s SER 2 CO 0.00 -0.06 0.88 0.42 0.41 0.00 0.00 173.24 174.89 1yws s THR 3 N -2.18 4.89 -0.12 1.44 -4.23 -1.26 -4.94 115.64 109.23 1yws s THR 3 Ca 0.33 1.80 0.17 0.00 -1.18 0.00 0.00 61.69 62.81 1yws s THR 3 Cb -0.07 -4.21 -0.24 0.00 1.34 0.00 0.00 72.50 69.32 1yws s THR 3 CO 0.24 0.10 0.18 -1.22 -0.54 0.00 0.00 174.62 173.38 1yws n TYR 4 N 4.53 0.00 -4.20 3.99 4.01 -1.26 -4.88 117.16 119.34 1yws n TYR 4 Ca 0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.52 1yws n TYR 4 Cb 0.50 -0.71 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 1yws n TYR 4 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1yws s ASP 5 N -4.80 4.78 -0.12 7.72 1.11 -1.26 -5.00 116.67 119.10 1yws s ASP 5 Ca -0.08 -0.38 -0.05 0.00 0.18 0.00 0.00 52.55 52.23 1yws s ASP 5 Cb 0.07 -1.02 0.06 0.00 1.07 0.00 0.00 42.92 43.10 1yws s ASP 5 CO 0.73 0.10 0.24 -0.70 1.18 0.00 0.00 175.17 176.73 1yws s GLU 6 N -2.86 0.15 0.20 8.23 2.12 -1.26 0.11 118.70 125.39 1yws s GLU 6 Ca 0.27 0.66 0.10 0.00 0.36 0.00 0.00 54.97 56.36 1yws s GLU 6 Cb -0.10 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 1yws s GLU 6 CO 0.18 -0.25 -0.20 0.42 -0.54 0.00 0.00 175.26 174.87 1yws s ILE 7 N 2.07 2.10 0.55 -3.70 1.09 -0.81 -4.89 121.20 117.61 1yws s ILE 7 Ca -0.02 -2.06 -0.18 0.00 -1.10 0.00 0.00 60.65 57.29 1yws s ILE 7 Cb -0.12 -2.03 -0.06 0.00 -1.06 0.00 0.00 42.46 39.20 1yws s ILE 7 CO -0.08 -0.28 1.07 -1.61 -0.10 0.00 0.00 174.94 173.94 1yws s GLU 8 N -2.93 3.47 0.54 2.79 2.02 -1.26 0.24 118.70 123.57 1yws s GLU 8 Ca 0.20 1.37 0.21 0.00 0.02 0.00 0.00 54.97 56.76 1yws s GLU 8 Cb -0.06 -2.04 1.44 0.00 0.10 0.00 0.00 34.13 33.56 1yws s GLU 8 CO 0.09 -0.71 2.17 0.97 0.02 0.00 0.00 175.26 177.80 1yws h ILE 9 N 1.00 0.84 -0.88 -1.63 2.10 -0.89 -1.41 117.51 116.64 1yws h ILE 9 Ca -0.49 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.49 1yws h ILE 9 Cb 1.23 0.98 -0.05 0.00 -1.09 0.00 0.00 36.82 37.89 1yws h ILE 9 CO 0.58 0.00 0.58 -0.33 -1.08 0.00 0.00 178.15 177.89 1yws h GLU 10 N 0.00 1.07 -0.11 2.19 5.08 -1.92 -2.77 114.58 118.12 1yws h GLU 10 Ca 0.01 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1yws h GLU 10 Cb 0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1yws h GLU 10 CO -0.00 0.71 -0.72 0.22 -1.00 0.00 0.00 179.01 178.21 1yws h ASP 11 N 1.10 0.63 -3.94 1.42 1.82 -1.63 -3.44 116.42 112.38 1yws h ASP 11 Ca 0.35 -0.40 -0.56 0.00 -0.39 0.00 0.00 57.03 56.02 1yws h ASP 11 Cb 0.02 -0.19 0.16 0.00 0.68 0.00 0.00 39.33 40.01 1yws h ASP 11 CO -0.10 1.16 0.39 0.23 -1.61 0.00 0.00 179.24 179.30 1yws n MET 12 N -3.88 1.04 -3.46 0.28 2.81 -1.05 -4.98 117.12 107.89 1yws n MET 12 Ca -0.05 0.41 -0.43 0.00 -1.81 0.00 0.00 57.70 55.82 1yws n MET 12 Cb 0.71 -2.42 -0.09 0.00 -0.71 0.00 0.00 33.22 30.71 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 -1.43 5.11 0.19 2.03 2.01 0.13 -4.92 115.64 118.77 1yws s THR 13 Ca 0.81 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1yws s THR 13 Cb -0.39 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 1yws s THR 13 CO 0.42 -0.41 1.14 0.72 -0.69 0.00 0.00 174.62 175.81 1yws s PHE 14 N 1.64 3.51 -0.66 4.92 -0.71 -1.26 0.15 117.98 125.57 1yws s PHE 14 Ca 0.04 1.53 0.00 0.00 -1.04 0.00 0.00 56.93 57.47 1yws s PHE 14 Cb -0.21 -3.35 0.17 0.00 -1.21 0.00 0.00 43.02 38.42 1yws s PHE 14 CO 0.08 -0.87 0.47 -2.00 -1.34 0.00 0.00 175.22 171.56 1yws s GLU 15 N -0.46 2.54 0.52 1.99 2.56 0.12 -4.86 118.70 121.11 1yws s GLU 15 Ca 0.50 -2.84 0.20 0.00 0.00 0.00 0.00 54.97 52.84 1yws s GLU 15 Cb -0.31 -3.62 1.38 0.00 2.00 0.00 0.00 34.13 33.57 1yws s GLU 15 CO 0.37 -1.19 2.14 -1.00 -0.56 0.00 0.00 175.26 175.01 1yws h PRO 16 N 6.43 0.00 0.00 4.30 0.13 -1.95 -0.61 132.00 140.30 1yws h PRO 16 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1yws h PRO 16 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1yws h PRO 16 CO 0.73 0.05 -0.01 0.93 -0.23 0.00 0.00 178.00 179.47 1yws h GLU 17 N 0.00 0.00 -0.01 0.86 5.08 -1.92 -2.50 114.58 116.09 1yws h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yws h GLU 17 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1yws h GLU 17 CO 0.01 0.01 -0.04 0.09 -1.00 0.00 0.00 179.01 178.08 1yws n ASN 18 N -3.11 1.68 -3.66 1.42 5.03 -0.33 -5.00 115.26 111.29 1yws n ASN 18 Ca 0.00 -1.34 -0.24 0.00 0.87 0.00 0.00 54.58 53.87 1yws n ASN 18 Cb 0.30 0.11 0.06 0.00 -1.02 0.00 0.00 39.78 39.22 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1yws n GLN 19 N 0.37 -6.78 -3.82 3.52 3.00 -0.65 -4.99 117.38 108.03 1yws n GLN 19 Ca 0.05 0.75 -0.09 0.00 -0.01 0.00 0.00 57.00 57.70 1yws n GLN 19 Cb 0.24 -5.71 -0.04 0.00 0.00 0.00 0.00 30.24 24.73 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 -6.17 1.40 -0.10 -1.09 0.23 -1.05 -3.89 119.30 108.63 1yws s MET 20 Ca 0.43 -0.98 -0.04 0.00 -1.03 0.00 0.00 55.69 54.07 1yws s MET 20 Cb -0.20 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1yws s MET 20 CO 0.76 -0.59 0.06 -0.06 -2.03 0.00 0.00 175.02 173.17 1yws s PHE 21 N -3.91 3.35 0.30 3.16 0.40 -0.62 0.13 117.98 120.78 1yws s PHE 21 Ca 0.12 0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1yws s PHE 21 Cb -0.01 -1.86 -0.06 0.00 0.51 0.00 0.00 43.02 41.60 1yws s PHE 21 CO 0.00 0.57 0.07 0.95 0.70 0.00 0.00 175.22 177.51 1yws s THR 22 N -0.89 0.95 -0.19 0.64 -4.23 0.12 -0.46 115.64 111.57 1yws s THR 22 Ca 0.14 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1yws s THR 22 Cb -0.12 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 71.07 1yws s THR 22 CO 0.03 -0.01 0.45 -0.47 -0.54 0.00 0.00 174.62 174.08 1yws s TYR 23 N -3.47 -0.72 0.05 3.99 5.04 -0.41 0.19 117.35 122.01 1yws s TYR 23 Ca 0.37 1.46 -0.34 0.00 -2.44 0.00 0.00 57.07 56.12 1yws s TYR 23 Cb 0.08 0.33 -0.13 0.00 0.35 0.00 0.00 41.96 42.59 1yws s TYR 23 CO 0.15 -0.41 1.67 -2.30 -1.34 0.00 0.00 175.55 173.32 1yws n PRO 24 N 4.58 2.03 -4.14 4.97 -0.02 -1.26 -0.24 135.00 140.92 1yws n PRO 24 Ca -0.19 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 1yws n PRO 24 Cb 0.54 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.76 4.03 0.00 0.00 0.04 -1.26 -4.38 135.00 132.66 1yws s PRO 26 Ca -0.03 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1yws s PRO 26 Cb -0.06 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1yws s PRO 26 CO 0.00 -0.64 0.00 0.00 0.04 0.00 0.00 177.00 176.40 1yws n GLY 28 N 0.00 0.19 3.38 0.00 0.00 -1.26 -4.96 105.19 102.54 1yws n GLY 28 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.98 0.10 1.61 -1.08 -1.26 -5.11 116.67 112.92 1yws s ASP 29 Ca 0.00 -1.63 0.05 0.00 -0.52 0.00 0.00 52.55 50.45 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 -0.00 0.00 0.52 0.00 0.00 175.17 174.76 1yws s ARG 30 N -3.71 2.51 0.35 4.34 1.70 -1.26 -3.91 118.95 118.97 1yws s ARG 30 Ca 0.33 -0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 54.43 1yws s ARG 30 Cb 0.04 -2.51 -0.12 0.00 -0.57 0.00 0.00 34.95 31.79 1yws s ARG 30 CO 0.18 0.52 1.26 1.19 -1.08 0.00 0.00 175.30 177.38 1yws n PHE 31 N 0.45 2.16 -4.02 5.89 3.72 0.66 -4.33 117.46 122.00 1yws n PHE 31 Ca -0.11 0.56 -0.16 0.00 -0.05 0.00 0.00 57.45 57.69 1yws n PHE 31 Cb 0.52 -2.39 -0.15 0.00 -0.94 0.00 0.00 39.48 36.52 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 -1.91 0.36 -0.05 -1.08 -2.07 0.12 -1.29 119.66 113.73 1yws s GLN 32 Ca 0.57 -0.03 0.02 0.00 -1.82 0.00 0.00 55.36 54.09 1yws s GLN 32 Cb -0.57 -0.44 0.02 0.00 -1.09 0.00 0.00 33.01 30.93 1yws s GLN 32 CO 0.61 -0.04 -0.09 -1.50 -1.32 0.00 0.00 175.29 172.96 1yws s ILE 33 N 0.54 0.88 0.24 3.63 2.07 0.39 -1.51 121.20 127.44 1yws s ILE 33 Ca -0.06 -0.33 -0.15 0.00 -1.41 0.00 0.00 60.65 58.70 1yws s ILE 33 Cb -0.09 -0.83 -0.08 0.00 0.13 0.00 0.00 42.46 41.59 1yws s ILE 33 CO -0.01 0.30 0.66 -0.31 -1.91 0.00 0.00 174.94 173.67 1yws s TYR 34 N 0.71 3.50 0.27 3.50 2.02 -1.26 -1.59 117.35 124.51 1yws s TYR 34 Ca -0.13 1.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.74 1yws s TYR 34 Cb -0.15 -2.47 0.39 0.00 -0.40 0.00 0.00 41.96 39.33 1yws s TYR 34 CO 0.02 0.26 1.73 1.25 -1.57 0.00 0.00 175.55 177.24 1yws h LEU 35 N 2.87 0.57 -0.62 -1.29 7.12 -1.97 -2.48 115.31 119.51 1yws h LEU 35 Ca -0.48 -0.18 0.07 0.00 0.13 0.00 0.00 57.88 57.42 1yws h LEU 35 Cb 1.18 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 41.10 1yws h LEU 35 CO 0.66 0.76 0.31 0.44 -0.13 0.00 0.00 178.44 180.49 1yws h ASP 36 N 0.52 0.43 -0.52 1.25 5.19 -1.93 0.12 116.42 121.48 1yws h ASP 36 Ca 0.08 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1yws h ASP 36 Cb 0.61 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1yws h ASP 36 CO 0.04 0.28 0.16 0.44 -3.12 0.00 0.00 179.24 177.04 1yws h ASP 37 N 0.58 0.76 -0.55 6.45 5.19 -1.76 -1.23 116.42 125.86 1yws h ASP 37 Ca 0.29 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1yws h ASP 37 Cb 0.23 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 1yws h ASP 37 CO -0.21 0.77 0.17 0.24 -3.12 0.00 0.00 179.24 177.10 1yws h MET 38 N 0.72 0.90 -0.37 3.56 2.86 -0.93 0.14 114.93 121.81 1yws h MET 38 Ca 0.17 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1yws h MET 38 Cb 0.28 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1yws h MET 38 CO -0.00 0.79 -0.07 0.35 1.06 0.00 0.00 176.91 179.03 1yws h PHE 39 N 0.87 0.65 0.00 -0.22 3.57 -0.50 -2.22 116.94 119.09 1yws h PHE 39 Ca 0.19 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1yws h PHE 39 Cb 0.27 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1yws h PHE 39 CO 0.02 0.67 0.00 0.93 -2.23 0.00 0.00 178.31 177.70 1yws h GLU 40 N 0.57 0.00 0.00 1.11 4.39 -0.04 -3.46 114.58 117.15 1yws h GLU 40 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1yws h GLU 40 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1yws h GLU 40 CO 0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1yws n GLY 41 N 0.12 0.44 3.55 -3.84 0.00 -0.74 -5.00 105.19 99.72 1yws n GLY 41 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1yws n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yws s GLU 42 N -0.92 3.94 -0.67 1.61 0.41 0.37 -4.92 118.70 118.52 1yws s GLU 42 Ca 0.00 -1.97 -0.20 0.00 -0.41 0.00 0.00 54.97 52.39 1yws s GLU 42 Cb 0.00 -5.42 0.10 0.00 -1.78 0.00 0.00 34.13 27.03 1yws s GLU 42 CO 0.00 -2.16 0.86 -1.59 -0.49 0.00 0.00 175.26 171.88 1yws s LYS 43 N 3.85 3.16 -0.29 1.61 0.00 -1.26 -3.66 119.74 123.16 1yws s LYS 43 Ca 0.50 -1.23 -0.16 0.00 0.00 0.00 0.00 55.97 55.09 1yws s LYS 43 Cb 0.02 -4.34 0.13 0.00 0.00 0.00 0.00 37.83 33.64 1yws s LYS 43 CO 0.04 -1.67 0.91 0.54 0.00 0.00 0.00 175.35 175.16 1yws s VAL 44 N 3.14 -0.03 -0.19 1.79 0.11 -1.26 -2.67 120.40 121.29 1yws s VAL 44 Ca 0.19 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.13 1yws s VAL 44 Cb -0.18 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 1yws s VAL 44 CO 0.05 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 171.98 1yws s ALA 45 N 1.48 3.68 -0.13 1.54 0.00 0.29 -4.73 121.76 123.89 1yws s ALA 45 Ca -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1yws s ALA 45 Cb -0.04 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1yws s ALA 45 CO -0.16 0.16 -0.00 0.54 0.00 0.00 0.00 175.76 176.30 1yws s VAL 46 N 0.35 4.26 -0.22 0.00 0.11 -0.57 -2.15 120.40 122.18 1yws s VAL 46 Ca 0.09 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1yws s VAL 46 Cb -0.11 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1yws s VAL 46 CO -0.01 0.54 0.07 0.00 -3.33 0.00 0.00 175.10 172.36 1yws s PRO 48 N 1.15 2.18 0.00 0.00 0.04 -1.26 -0.61 135.00 136.50 1yws s PRO 48 Ca 0.04 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1yws s PRO 48 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1yws s PRO 48 CO 0.03 -1.75 0.00 0.45 0.04 0.00 0.00 177.00 175.77 1yws n SER 49 N -3.04 0.00 0.05 6.66 2.88 -1.26 -4.20 113.62 114.71 1yws n SER 49 Ca 0.11 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.70 1yws n SER 49 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 -2.77 -4.20 -4.88 0.00 2.88 0.22 -5.01 113.62 99.86 1yws n SER 51 Ca -0.06 -0.33 -0.36 0.00 -1.33 0.00 0.00 58.87 56.79 1yws n SER 51 Cb 0.73 -3.19 -0.06 0.00 -0.75 0.00 0.00 64.21 60.94 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 -4.70 4.39 -0.02 2.46 2.96 -1.13 -4.83 118.68 117.81 1yws s LEU 52 Ca 0.29 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 1yws s LEU 52 Cb -0.13 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1yws s LEU 52 CO 0.43 0.33 -0.09 -0.04 -1.32 0.00 0.00 176.35 175.66 1yws s MET 53 N -1.39 0.86 0.02 1.98 -1.94 -1.26 -0.13 119.30 117.44 1yws s MET 53 Ca 0.21 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 53.85 1yws s MET 53 Cb -0.13 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.88 1yws s MET 53 CO 0.11 0.16 0.02 0.96 -0.01 0.00 0.00 175.02 176.25 1yws s ILE 54 N -0.02 0.11 0.68 2.53 -0.00 -0.91 -4.45 121.20 119.13 1yws s ILE 54 Ca 0.00 -0.88 -0.14 0.00 -0.00 0.00 0.00 60.65 59.63 1yws s ILE 54 Cb -0.06 -0.35 0.01 0.00 -0.00 0.00 0.00 42.46 42.06 1yws s ILE 54 CO -0.00 -0.49 1.12 -1.81 -0.00 0.00 0.00 174.94 173.76 1yws s ASP 55 N -1.50 4.91 -0.06 4.36 1.11 0.12 -0.54 116.67 125.06 1yws s ASP 55 Ca -0.15 2.02 -0.00 0.00 0.18 0.00 0.00 52.55 54.60 1yws s ASP 55 Cb -0.09 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.38 1yws s ASP 55 CO -0.01 -1.77 -0.02 -0.69 1.18 0.00 0.00 175.17 173.87 1yws s VAL 56 N -2.37 0.42 -0.56 -1.27 1.01 -1.09 -1.93 120.40 114.61 1yws s VAL 56 Ca 0.67 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 1yws s VAL 56 Cb -0.21 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1yws s VAL 56 CO 0.44 0.24 1.46 -0.69 0.00 0.00 0.00 175.10 176.54 1yws s VAL 57 N 1.49 3.74 0.33 2.92 1.01 0.14 -4.72 120.40 125.31 1yws s VAL 57 Ca -0.02 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.66 1yws s VAL 57 Cb -0.13 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1yws s VAL 57 CO -0.03 -1.14 0.22 0.72 0.00 0.00 0.00 175.10 174.87 1yws s PHE 58 N 6.28 2.82 0.05 5.22 -0.71 -1.26 -0.17 117.98 130.20 1yws s PHE 58 Ca 0.54 -0.33 0.05 0.00 -1.04 0.00 0.00 56.93 56.15 1yws s PHE 58 Cb -0.11 -1.70 -0.02 0.00 -1.21 0.00 0.00 43.02 39.97 1yws s PHE 58 CO 0.25 0.27 -0.14 0.34 -1.34 0.00 0.00 175.22 174.60 1yws s ASP 59 N -3.92 1.68 0.38 1.98 2.15 -1.26 -5.00 116.67 112.68 1yws s ASP 59 Ca 0.39 -0.50 0.08 0.00 0.43 0.00 0.00 52.55 52.95 1yws s ASP 59 Cb -0.04 -0.09 0.76 0.00 -0.30 0.00 0.00 42.92 43.24 1yws s ASP 59 CO 0.25 0.01 1.91 0.11 -0.17 0.00 0.00 175.17 177.28 1yws h LYS 60 N 4.75 0.30 -0.14 4.34 6.56 -1.98 -0.51 116.57 129.89 1yws h LYS 60 Ca -0.39 -0.07 -0.22 0.00 -1.06 0.00 0.00 60.65 58.92 1yws h LYS 60 Cb 1.18 -0.04 0.01 0.00 -0.57 0.00 0.00 32.23 32.81 1yws h LYS 60 CO 0.43 0.41 -0.76 0.93 -2.06 0.00 0.00 179.45 178.40 1yws h GLU 61 N 0.29 0.76 -0.88 3.15 4.39 -1.98 -0.45 114.58 119.85 1yws h GLU 61 Ca 0.06 -0.63 0.01 0.00 0.34 0.00 0.00 59.36 59.14 1yws h GLU 61 Cb 0.35 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 1yws h GLU 61 CO 0.02 1.24 0.58 -0.44 -1.16 0.00 0.00 179.01 179.25 1yws h ASP 62 N 0.48 1.00 -0.08 1.42 5.19 -1.89 -0.62 116.42 121.92 1yws h ASP 62 Ca -0.05 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1yws h ASP 62 Cb 1.39 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 1yws h ASP 62 CO 0.16 0.72 0.03 -0.07 -3.12 0.00 0.00 179.24 176.95 1yws h LEU 63 N 1.18 0.12 -0.80 1.55 3.38 -0.98 -2.06 115.31 117.69 1yws h LEU 63 Ca 0.33 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1yws h LEU 63 Cb -0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1yws h LEU 63 CO -0.08 0.28 0.53 0.00 0.09 0.00 0.00 178.44 179.26 1yws h ALA 64 N 0.84 1.02 0.33 1.53 0.00 -0.78 0.36 119.26 122.57 1yws h ALA 64 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yws h ALA 64 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1yws h ALA 64 CO -0.00 0.44 -0.16 1.49 0.00 0.00 0.00 179.25 181.02 1yws h GLU 65 N 1.09 -0.42 -0.48 0.00 4.57 -1.08 -2.85 114.58 115.41 1yws h GLU 65 Ca 0.29 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 1yws h GLU 65 Cb -0.11 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1yws h GLU 65 CO -0.06 -0.19 0.09 -0.92 -1.18 0.00 0.00 179.01 176.75 1yws h TYR 66 N -0.59 0.75 -0.69 0.92 3.20 -1.17 -2.55 116.97 116.84 1yws h TYR 66 Ca -0.04 -0.07 0.11 0.00 3.14 0.00 0.00 58.73 61.87 1yws h TYR 66 Cb 0.43 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.40 1yws h TYR 66 CO -0.02 0.66 0.29 -0.92 -1.64 0.00 0.00 178.16 176.53 1yws h TYR 67 N 0.70 0.51 -0.25 -3.82 3.20 -0.19 0.25 116.97 117.37 1yws h TYR 67 Ca 0.15 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 1yws h TYR 67 Cb 0.30 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1yws h TYR 67 CO 0.02 0.12 -0.41 0.93 -1.64 0.00 0.00 178.16 177.18 1yws h GLU 68 N 0.48 0.59 0.00 1.82 4.39 -1.23 -0.06 114.58 120.57 1yws h GLU 68 Ca 0.36 -0.30 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 1yws h GLU 68 Cb 0.47 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1yws h GLU 68 CO -0.33 0.89 -0.91 0.93 -1.16 0.00 0.00 179.01 178.43 1yws h GLU 69 N 0.49 0.31 0.00 2.33 5.08 -1.08 -3.27 114.58 118.43 1yws h GLU 69 Ca 0.04 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1yws h GLU 69 Cb 0.91 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1yws h GLU 69 CO 0.08 1.03 -0.92 0.00 -1.00 0.00 0.00 179.01 178.20 1yws h ALA 70 N 0.85 0.56 -3.59 3.43 0.00 -0.52 -3.49 119.26 116.50 1yws h ALA 70 Ca -0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1yws h ALA 70 Cb 1.54 0.01 0.06 0.00 0.00 0.00 0.00 17.79 19.40 1yws h ALA 70 CO 0.15 0.04 -0.26 0.41 0.00 0.00 0.00 179.25 179.59 1yws n GLY 71 N 1.18 0.24 4.01 0.00 0.00 -0.10 -4.76 105.19 105.76 1yws n GLY 71 Ca -0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.12 2.63 0.02 -0.61 1.01 -0.83 -5.03 121.20 115.27 1yws s ILE 72 Ca 0.10 -0.89 -0.35 0.00 0.00 0.00 0.00 60.65 59.51 1yws s ILE 72 Cb -0.01 -2.74 -0.14 0.00 0.01 0.00 0.00 42.46 39.58 1yws s ILE 72 CO 0.23 0.00 1.64 1.57 0.00 0.00 0.00 174.94 178.38 1yws n HIS 73 N -2.15 2.12 -1.80 3.97 -0.00 -1.26 -4.88 115.22 111.22 1yws n HIS 73 Ca 0.11 0.29 -0.43 0.00 -0.00 0.00 0.00 57.72 57.69 1yws n HIS 73 Cb 0.60 -2.53 -0.03 0.00 -0.00 0.00 0.00 29.99 28.03 1yws n HIS 73 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1yws s PRO 74 N 2.08 3.61 0.47 1.57 0.04 -1.26 -5.00 135.00 136.51 1yws s PRO 74 Ca 0.86 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.92 1yws s PRO 74 Cb -0.78 -4.21 -0.01 0.00 0.04 0.00 0.00 34.50 29.54 1yws s PRO 74 CO 0.47 -1.55 0.72 -1.25 0.04 0.00 0.00 177.00 175.44 1yws s PRO 75 N 5.31 3.14 -0.19 0.56 0.04 -1.26 -5.04 135.00 137.56 1yws s PRO 75 Ca 0.87 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.35 1yws s PRO 75 Cb -0.32 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1yws s PRO 75 CO 0.35 -0.31 1.36 -1.21 0.04 0.00 0.00 177.00 177.23 1yws s GLU 76 N -4.65 4.10 0.48 4.56 8.01 -1.26 -4.97 118.70 124.96 1yws s GLU 76 Ca 0.48 1.63 -0.22 0.00 0.01 0.00 0.00 54.97 56.87 1yws s GLU 76 Cb -0.10 -3.85 -0.07 0.00 -4.31 0.00 0.00 34.13 25.80 1yws s GLU 76 CO 0.40 -0.89 1.13 -1.25 0.01 0.00 0.00 175.26 174.66 1yws s PRO 77 N 3.86 3.71 0.54 0.39 0.04 -1.26 -5.06 135.00 137.22 1yws s PRO 77 Ca 0.59 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1yws s PRO 77 Cb -0.22 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.13 1yws s PRO 77 CO 0.20 -0.56 0.74 0.44 0.04 0.00 0.00 177.00 177.86 1yws n ILE 78 N -0.69 0.00 -3.84 0.56 -5.35 -1.26 -5.08 119.36 103.69 1yws n ILE 78 Ca 0.08 -1.32 -0.30 0.00 -0.27 0.00 0.00 62.75 60.94 1yws n ILE 78 Cb 0.49 -0.88 -0.13 0.00 -1.74 0.00 0.00 39.64 37.38 1yws n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yws s ALA 79 N -2.93 2.86 -1.17 -1.28 0.00 -1.26 -5.03 121.76 112.96 1yws s ALA 79 Ca 0.51 -3.04 -0.17 0.00 0.00 0.00 0.00 51.96 49.26 1yws s ALA 79 Cb -0.03 -2.05 0.12 0.00 0.00 0.00 0.00 23.12 21.16 1yws s ALA 79 CO 0.33 -2.04 1.48 0.00 0.00 0.00 0.00 175.76 175.54 1yws s ALA 80 N -0.12 3.53 -0.45 0.00 0.00 -1.26 -4.67 121.76 118.80 1yws s ALA 80 Ca 0.18 -3.00 0.22 0.00 0.00 0.00 0.00 51.96 49.36 1yws s ALA 80 Cb -0.23 -4.33 -0.16 0.00 0.00 0.00 0.00 23.12 18.40 1yws s ALA 80 CO -0.01 -3.07 0.80 0.00 0.00 0.00 0.00 175.76 173.47 1yws n ALA 81 N 7.04 3.41 -1.09 0.00 0.00 -1.26 -5.24 120.51 123.36 1yws n ALA 81 Ca 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1yws n ALA 81 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50