#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 0.09 -0.88 7.83 0.01 -1.26 -5.09 113.70 114.41 1yws s SER 2 Ca 0.00 0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.04 1yws s SER 2 Cb 0.00 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.26 1yws s SER 2 CO 0.00 -0.04 1.26 0.42 0.41 0.00 0.00 173.24 175.28 1yws s THR 3 N 0.40 4.14 0.16 1.44 -4.23 -1.26 -4.74 115.64 111.54 1yws s THR 3 Ca -0.03 -0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 1yws s THR 3 Cb -0.05 -4.90 -0.10 0.00 1.34 0.00 0.00 72.50 68.79 1yws s THR 3 CO -0.01 -1.74 1.43 0.22 -0.54 0.00 0.00 174.62 173.98 1yws h TYR 4 N 9.58 0.76 -2.04 3.99 3.20 -1.99 -3.45 116.97 127.03 1yws h TYR 4 Ca 0.00 -0.30 -0.54 0.00 3.14 0.00 0.00 58.73 61.03 1yws h TYR 4 Cb 1.03 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 1yws h TYR 4 CO 1.17 1.07 -0.56 0.34 -1.64 0.00 0.00 178.16 178.54 1yws s ASP 5 N -6.98 4.82 -0.28 -2.11 -1.08 -1.26 -5.02 116.67 104.75 1yws s ASP 5 Ca -0.08 -0.63 -0.00 0.00 -0.52 0.00 0.00 52.55 51.32 1yws s ASP 5 Cb 0.10 -0.89 0.17 0.00 -1.46 0.00 0.00 42.92 40.84 1yws s ASP 5 CO 0.86 -0.16 0.51 -0.70 0.52 0.00 0.00 175.17 176.20 1yws s GLU 6 N -3.80 0.49 0.31 4.34 2.12 -1.26 -0.98 118.70 119.93 1yws s GLU 6 Ca 0.35 0.74 0.11 0.00 0.36 0.00 0.00 54.97 56.53 1yws s GLU 6 Cb -0.05 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 1yws s GLU 6 CO 0.22 -0.71 -0.13 0.42 -0.54 0.00 0.00 175.26 174.52 1yws s ILE 7 N 2.73 2.43 0.56 -3.70 1.09 -0.99 -4.89 121.20 118.43 1yws s ILE 7 Ca 0.16 -2.27 -0.18 0.00 -1.10 0.00 0.00 60.65 57.26 1yws s ILE 7 Cb -0.14 -2.50 -0.05 0.00 -1.06 0.00 0.00 42.46 38.70 1yws s ILE 7 CO -0.21 -0.30 1.10 -1.61 -0.10 0.00 0.00 174.94 173.82 1yws s GLU 8 N -3.57 3.34 0.48 2.79 2.02 -1.26 0.36 118.70 122.85 1yws s GLU 8 Ca 0.31 1.46 0.13 0.00 0.02 0.00 0.00 54.97 56.90 1yws s GLU 8 Cb -0.02 -2.02 1.11 0.00 0.10 0.00 0.00 34.13 33.31 1yws s GLU 8 CO 0.16 -0.83 2.10 0.97 0.02 0.00 0.00 175.26 177.68 1yws h ILE 9 N 0.95 1.05 0.00 -1.63 2.10 -0.66 -2.03 117.51 117.29 1yws h ILE 9 Ca -0.49 -0.16 -0.08 0.00 1.08 0.00 0.00 64.86 65.22 1yws h ILE 9 Cb 1.24 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1yws h ILE 9 CO 0.57 0.06 -0.37 -0.08 -1.08 0.00 0.00 178.15 177.24 1yws h GLU 10 N 0.16 0.00 0.00 2.19 4.81 -1.92 -2.74 114.58 117.08 1yws h GLU 10 Ca 0.04 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 1yws h GLU 10 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1yws h GLU 10 CO -0.00 0.37 -0.93 0.22 -0.73 0.00 0.00 179.01 177.93 1yws h ASP 11 N 0.00 0.00 -2.63 1.04 3.58 -1.75 -3.45 116.42 113.22 1yws h ASP 11 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 1yws h ASP 11 Cb 0.75 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.86 1yws h ASP 11 CO 0.05 0.93 0.96 0.23 -2.88 0.00 0.00 179.24 178.53 1yws n MET 12 N -3.43 2.65 -2.23 0.28 2.81 -1.03 -4.89 117.12 111.28 1yws n MET 12 Ca -0.00 0.96 -0.42 0.00 -1.81 0.00 0.00 57.70 56.42 1yws n MET 12 Cb 0.88 -2.78 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 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 1.02 3.69 0.04 2.03 2.01 -0.31 -4.80 115.64 119.32 1yws s THR 13 Ca 0.75 0.65 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 1yws s THR 13 Cb -0.54 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 67.83 1yws s THR 13 CO 0.35 -0.80 0.78 0.72 -0.69 0.00 0.00 174.62 174.97 1yws s PHE 14 N 6.45 3.72 -0.46 4.92 -0.71 -1.26 0.32 117.98 130.96 1yws s PHE 14 Ca 0.64 1.49 -0.04 0.00 -1.04 0.00 0.00 56.93 57.98 1yws s PHE 14 Cb -0.15 -2.85 0.12 0.00 -1.21 0.00 0.00 43.02 38.94 1yws s PHE 14 CO 0.29 0.24 0.27 -2.00 -1.34 0.00 0.00 175.22 172.68 1yws s GLU 15 N 0.07 2.18 0.61 1.99 2.56 0.84 -4.93 118.70 122.01 1yws s GLU 15 Ca 0.40 -1.95 0.37 0.00 0.00 0.00 0.00 54.97 53.79 1yws s GLU 15 Cb -0.20 -3.66 2.00 0.00 2.00 0.00 0.00 34.13 34.26 1yws s GLU 15 CO 0.23 -1.11 2.25 -1.00 -0.56 0.00 0.00 175.26 175.07 1yws h PRO 16 N 7.92 0.00 0.00 4.30 0.13 -1.94 0.63 132.00 143.04 1yws h PRO 16 Ca -0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.95 1yws h PRO 16 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1yws h PRO 16 CO 0.72 0.02 -0.29 0.93 -0.23 0.00 0.00 178.00 179.15 1yws h GLU 17 N 0.00 0.00 -0.01 0.86 4.39 -1.92 -3.08 114.58 114.82 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 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1yws h GLU 17 CO 0.00 0.29 -0.01 0.09 -1.16 0.00 0.00 179.01 178.23 1yws n ASN 18 N -3.58 1.54 -3.67 1.42 3.02 -0.17 -5.01 115.26 108.83 1yws n ASN 18 Ca -0.01 -1.27 -0.24 0.00 -0.03 0.00 0.00 54.58 53.03 1yws n ASN 18 Cb 0.43 0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.35 -6.83 -3.84 3.52 3.00 0.03 -4.97 117.38 108.64 1yws n GLN 19 Ca 0.04 0.75 -0.07 0.00 -0.01 0.00 0.00 57.00 57.71 1yws n GLN 19 Cb 0.17 -5.71 -0.01 0.00 0.00 0.00 0.00 30.24 24.69 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 -6.21 1.91 -0.13 -1.09 0.23 -1.10 -4.78 119.30 108.14 1yws s MET 20 Ca 0.45 -1.12 -0.05 0.00 -1.03 0.00 0.00 55.69 53.94 1yws s MET 20 Cb -0.21 0.61 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1yws s MET 20 CO 0.76 -0.88 0.07 -0.06 -2.03 0.00 0.00 175.02 172.88 1yws s PHE 21 N -3.41 3.35 0.19 3.16 0.40 -1.25 -0.11 117.98 120.30 1yws s PHE 21 Ca 0.12 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1yws s PHE 21 Cb -0.06 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 1yws s PHE 21 CO 0.08 0.48 0.05 0.95 0.70 0.00 0.00 175.22 177.48 1yws s THR 22 N -0.58 0.42 -0.04 0.64 -4.23 0.15 -2.50 115.64 109.50 1yws s THR 22 Ca 0.11 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1yws s THR 22 Cb -0.12 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1yws s THR 22 CO 0.02 -0.30 0.04 -0.47 -0.54 0.00 0.00 174.62 173.37 1yws s TYR 23 N -3.84 0.20 -0.04 3.99 5.04 0.52 -1.16 117.35 122.05 1yws s TYR 23 Ca 0.29 0.15 -0.34 0.00 -2.44 0.00 0.00 57.07 54.72 1yws s TYR 23 Cb 0.07 -0.52 -0.12 0.00 0.35 0.00 0.00 41.96 41.74 1yws s TYR 23 CO 0.07 -0.20 1.81 -2.30 -1.34 0.00 0.00 175.55 173.58 1yws n PRO 24 N 5.09 2.14 -3.71 4.97 -0.02 -1.26 -1.07 135.00 141.14 1yws n PRO 24 Ca -0.08 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1yws n PRO 24 Cb 0.50 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 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 1.54 4.12 0.00 0.00 0.05 -1.26 -4.40 135.00 135.05 1yws s PRO 26 Ca -0.07 0.83 0.00 0.00 0.05 0.00 0.00 61.00 61.81 1yws s PRO 26 Cb -0.11 -3.67 0.00 0.00 0.05 0.00 0.00 34.50 30.78 1yws s PRO 26 CO -0.08 -0.55 0.00 0.00 0.05 0.00 0.00 177.00 176.41 1yws n GLY 28 N -0.86 0.35 3.35 0.00 0.00 -1.26 -4.84 105.19 101.92 1yws n GLY 28 Ca 0.00 -0.01 -0.15 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 0.95 0.15 1.61 -1.08 -1.25 -5.04 116.67 112.02 1yws s ASP 29 Ca 0.00 -1.53 0.07 0.00 -0.52 0.00 0.00 52.55 50.57 1yws s ASP 29 Cb 0.00 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1yws s ASP 29 CO 0.00 -1.08 -0.02 0.00 0.52 0.00 0.00 175.17 174.59 1yws s ARG 30 N -3.55 2.37 -0.01 4.34 1.70 -1.26 -4.43 118.95 118.11 1yws s ARG 30 Ca 0.36 -1.05 -0.35 0.00 -0.47 0.00 0.00 55.73 54.21 1yws s ARG 30 Cb 0.02 -2.37 -0.14 0.00 -0.57 0.00 0.00 34.95 31.89 1yws s ARG 30 CO 0.20 0.48 1.67 1.19 -1.08 0.00 0.00 175.30 177.76 1yws n PHE 31 N 0.13 2.13 -4.17 5.89 3.01 -0.23 -4.38 117.46 119.84 1yws n PHE 31 Ca -0.10 0.28 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 1yws n PHE 31 Cb 0.54 -2.54 -0.13 0.00 -0.01 0.00 0.00 39.48 37.35 1yws n PHE 31 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1yws s GLN 32 N 2.37 0.61 -0.04 -1.08 -2.07 0.11 -0.36 119.66 119.20 1yws s GLN 32 Ca 0.88 -0.59 -0.03 0.00 -1.82 0.00 0.00 55.36 53.80 1yws s GLN 32 Cb -0.79 -0.51 0.02 0.00 -1.09 0.00 0.00 33.01 30.64 1yws s GLN 32 CO 0.49 0.12 0.10 -1.50 -1.32 0.00 0.00 175.29 173.18 1yws s ILE 33 N -0.87 -0.02 0.01 3.63 2.07 -1.04 -1.24 121.20 123.75 1yws s ILE 33 Ca -0.03 0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 59.13 1yws s ILE 33 Cb -0.07 -0.17 -0.06 0.00 0.13 0.00 0.00 42.46 42.29 1yws s ILE 33 CO 0.00 0.04 0.48 -0.31 -1.91 0.00 0.00 174.94 173.24 1yws s TYR 34 N 0.56 3.74 0.27 3.50 2.02 -1.26 -3.85 117.35 122.33 1yws s TYR 34 Ca -0.04 1.09 0.24 0.00 -0.37 0.00 0.00 57.07 57.99 1yws s TYR 34 Cb -0.06 -2.40 1.08 0.00 -0.40 0.00 0.00 41.96 40.18 1yws s TYR 34 CO -0.02 0.57 1.91 -0.07 -1.57 0.00 0.00 175.55 176.36 1yws h LEU 35 N 4.88 0.00 -0.62 -1.29 3.38 -1.98 -1.81 115.31 117.87 1yws h LEU 35 Ca -0.50 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1yws h LEU 35 Cb 1.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1yws h LEU 35 CO 0.64 0.22 0.24 0.44 0.09 0.00 0.00 178.44 180.07 1yws h ASP 36 N 0.00 0.26 -0.25 -0.43 5.19 -1.97 0.50 116.42 119.71 1yws h ASP 36 Ca -0.00 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.40 1yws h ASP 36 Cb 0.60 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1yws h ASP 36 CO 0.03 0.15 -0.15 0.44 -3.12 0.00 0.00 179.24 176.60 1yws h ASP 37 N 0.43 0.57 -0.40 6.45 5.19 -1.65 -2.76 116.42 124.25 1yws h ASP 37 Ca 0.31 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1yws h ASP 37 Cb 0.37 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1yws h ASP 37 CO -0.30 0.87 0.26 0.24 -3.12 0.00 0.00 179.24 177.19 1yws h MET 38 N 0.27 0.53 0.00 3.56 2.86 -0.72 0.14 114.93 121.56 1yws h MET 38 Ca 0.05 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1yws h MET 38 Cb 0.66 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1yws h MET 38 CO 0.04 0.36 -0.12 0.35 1.06 0.00 0.00 176.91 178.60 1yws h PHE 39 N 0.54 0.00 0.00 -0.22 3.57 -0.08 -0.68 116.94 120.06 1yws h PHE 39 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1yws h PHE 39 Cb -0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1yws h PHE 39 CO -0.05 0.12 -0.06 1.49 -2.23 0.00 0.00 178.31 177.59 1yws h GLU 40 N 0.00 0.00 0.00 1.11 4.81 -1.01 -3.47 114.58 116.02 1yws h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yws h GLU 40 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1yws h GLU 40 CO 0.02 0.06 0.00 0.41 -0.73 0.00 0.00 179.01 178.76 1yws n GLY 41 N 0.68 0.70 3.63 1.92 0.00 -0.26 -5.08 105.19 106.79 1yws n GLY 41 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.56 4.04 -0.34 1.61 2.56 -0.05 -4.97 118.70 120.98 1yws s GLU 42 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 54.97 55.83 1yws s GLU 42 Cb 0.00 -3.72 0.10 0.00 2.00 0.00 0.00 34.13 32.52 1yws s GLU 42 CO 0.00 -0.74 0.10 -1.59 -0.56 0.00 0.00 175.26 172.47 1yws s LYS 43 N 3.21 1.11 -0.29 4.30 0.00 -1.26 -2.77 119.74 124.04 1yws s LYS 43 Ca 0.38 -1.53 -0.18 0.00 0.00 0.00 0.00 55.97 54.64 1yws s LYS 43 Cb -0.14 -2.53 0.14 0.00 0.00 0.00 0.00 37.83 35.30 1yws s LYS 43 CO 0.13 -0.99 0.97 0.54 0.00 0.00 0.00 175.35 175.99 1yws s VAL 44 N 1.14 0.00 -0.13 1.79 0.11 -1.26 -2.88 120.40 119.17 1yws s VAL 44 Ca 0.11 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1yws s VAL 44 Cb -0.19 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1yws s VAL 44 CO -0.15 0.00 0.11 0.00 -3.33 0.00 0.00 175.10 171.73 1yws s ALA 45 N 1.13 3.74 -0.04 1.54 0.00 0.65 -4.76 121.76 124.02 1yws s ALA 45 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1yws s ALA 45 Cb -0.04 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 1yws s ALA 45 CO -0.14 0.53 -0.25 0.54 0.00 0.00 0.00 175.76 176.44 1yws s VAL 46 N -0.75 2.03 -0.23 0.00 0.11 -0.37 -1.47 120.40 119.72 1yws s VAL 46 Ca 0.13 -1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.02 1yws s VAL 46 Cb -0.12 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1yws s VAL 46 CO 0.03 0.57 0.09 0.00 -3.33 0.00 0.00 175.10 172.45 1yws s PRO 48 N 1.16 3.77 0.00 0.00 0.04 -1.26 -1.11 135.00 137.60 1yws s PRO 48 Ca 0.05 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1yws s PRO 48 Cb -0.14 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1yws s PRO 48 CO 0.04 -0.41 0.00 0.45 0.04 0.00 0.00 177.00 177.12 1yws n SER 49 N -2.15 0.00 -0.00 6.66 2.88 -1.26 -3.80 113.62 115.95 1yws n SER 49 Ca 0.06 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 1yws n SER 49 Cb 0.54 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 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 -3.17 -5.38 -4.14 0.00 7.64 -0.27 -5.08 113.62 103.22 1yws n SER 51 Ca -0.18 0.10 -0.17 0.00 1.01 0.00 0.00 58.87 59.63 1yws n SER 51 Cb 1.04 -3.51 -0.12 0.00 -1.01 0.00 0.00 64.21 60.62 1yws n SER 51 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yws s LEU 52 N -2.66 2.28 0.00 -3.43 2.96 -1.03 -4.95 118.68 111.86 1yws s LEU 52 Ca 0.06 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1yws s LEU 52 Cb -0.02 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 1yws s LEU 52 CO 0.44 -0.12 -0.07 -0.04 -1.32 0.00 0.00 176.35 175.24 1yws s MET 53 N -1.75 0.52 0.01 1.98 -1.94 -1.26 -0.17 119.30 116.69 1yws s MET 53 Ca -0.04 -0.29 -0.02 0.00 -1.71 0.00 0.00 55.69 53.63 1yws s MET 53 Cb -0.10 -0.48 -0.01 0.00 2.01 0.00 0.00 34.83 36.25 1yws s MET 53 CO 0.02 0.13 0.02 0.96 -0.01 0.00 0.00 175.02 176.14 1yws s ILE 54 N -0.28 0.09 0.64 2.53 -0.00 -0.54 -4.09 121.20 119.54 1yws s ILE 54 Ca 0.01 -0.72 -0.14 0.00 -0.00 0.00 0.00 60.65 59.80 1yws s ILE 54 Cb -0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 42.46 42.13 1yws s ILE 54 CO -0.00 -0.40 1.06 -1.81 -0.00 0.00 0.00 174.94 173.79 1yws s ASP 55 N -1.22 5.58 -0.06 4.36 1.11 -0.15 -0.25 116.67 126.04 1yws s ASP 55 Ca -0.13 1.75 0.01 0.00 0.18 0.00 0.00 52.55 54.36 1yws s ASP 55 Cb -0.08 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1yws s ASP 55 CO -0.00 -1.30 -0.07 0.54 1.18 0.00 0.00 175.17 175.52 1yws s VAL 56 N -2.66 0.73 -0.57 -1.27 0.11 -1.14 -2.36 120.40 113.24 1yws s VAL 56 Ca 0.62 -0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 1yws s VAL 56 Cb -0.15 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1yws s VAL 56 CO 0.44 0.28 1.06 -0.69 -3.33 0.00 0.00 175.10 172.85 1yws s VAL 57 N 1.01 4.21 0.33 2.04 1.01 0.16 -4.70 120.40 124.46 1yws s VAL 57 Ca -0.09 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1yws s VAL 57 Cb -0.14 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 1yws s VAL 57 CO -0.00 -1.24 0.09 0.72 0.00 0.00 0.00 175.10 174.67 1yws s PHE 58 N 4.44 2.66 0.11 5.22 -0.71 -1.26 0.11 117.98 128.54 1yws s PHE 58 Ca 0.36 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 55.89 1yws s PHE 58 Cb -0.10 -1.56 -0.04 0.00 -1.21 0.00 0.00 43.02 40.11 1yws s PHE 58 CO 0.22 0.40 -0.08 0.34 -1.34 0.00 0.00 175.22 174.76 1yws s ASP 59 N -3.79 1.37 0.24 1.98 -1.08 -1.26 -5.01 116.67 109.11 1yws s ASP 59 Ca 0.36 -0.95 -0.05 0.00 -0.52 0.00 0.00 52.55 51.40 1yws s ASP 59 Cb -0.02 0.05 0.26 0.00 -1.46 0.00 0.00 42.92 41.75 1yws s ASP 59 CO 0.21 -0.38 1.77 0.11 0.52 0.00 0.00 175.17 177.41 1yws h LYS 60 N 3.10 0.98 -0.10 4.34 6.56 -1.99 -1.57 116.57 127.88 1yws h LYS 60 Ca -0.36 -0.22 -0.20 0.00 -1.06 0.00 0.00 60.65 58.81 1yws h LYS 60 Cb 1.18 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1yws h LYS 60 CO 0.61 0.88 -0.76 1.05 -2.06 0.00 0.00 179.45 179.17 1yws h GLU 61 N 0.93 0.56 -0.71 3.15 4.11 -1.99 -1.92 114.58 118.72 1yws h GLU 61 Ca 0.20 -0.46 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1yws h GLU 61 Cb 0.34 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1yws h GLU 61 CO 0.00 1.08 0.29 -0.44 0.07 0.00 0.00 179.01 180.02 1yws h ASP 62 N 0.38 0.94 0.29 3.06 5.19 -1.92 -2.06 116.42 122.30 1yws h ASP 62 Ca -0.04 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1yws h ASP 62 Cb 1.35 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1yws h ASP 62 CO 0.14 0.83 -0.14 -0.07 -3.12 0.00 0.00 179.24 176.88 1yws h LEU 63 N 1.02 -0.32 -0.81 1.55 3.38 -1.15 -2.81 115.31 116.16 1yws h LEU 63 Ca 0.24 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1yws h LEU 63 Cb 0.17 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1yws h LEU 63 CO -0.02 -0.07 0.42 0.00 0.09 0.00 0.00 178.44 178.85 1yws h ALA 64 N 0.08 1.19 -0.13 1.53 0.00 -1.18 -0.30 119.26 120.44 1yws h ALA 64 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1yws h ALA 64 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yws h ALA 64 CO 0.06 -0.05 0.05 1.49 0.00 0.00 0.00 179.25 180.80 1yws h GLU 65 N 0.64 0.11 -0.38 0.00 4.57 -1.37 -2.70 114.58 115.46 1yws h GLU 65 Ca 0.42 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.52 1yws h GLU 65 Cb 0.54 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1yws h GLU 65 CO -0.32 0.07 -0.10 -0.92 -1.18 0.00 0.00 179.01 176.56 1yws h TYR 66 N 0.11 0.71 -0.69 0.92 3.20 -1.00 -1.92 116.97 118.31 1yws h TYR 66 Ca 0.05 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 61.91 1yws h TYR 66 Cb 0.03 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.03 1yws h TYR 66 CO -0.10 0.73 0.30 1.88 -1.64 0.00 0.00 178.16 179.33 1yws h TYR 67 N 0.60 0.53 -0.23 -3.82 0.05 -0.78 0.12 116.97 113.44 1yws h TYR 67 Ca 0.11 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.72 1yws h TYR 67 Cb 0.52 -0.13 0.01 0.00 1.01 0.00 0.00 36.73 38.13 1yws h TYR 67 CO 0.02 0.15 -0.66 1.49 -1.05 0.00 0.00 178.16 178.11 1yws h GLU 68 N 0.50 0.84 -0.53 4.88 4.81 -1.25 0.24 114.58 124.07 1yws h GLU 68 Ca 0.35 -0.61 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1yws h GLU 68 Cb 0.43 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1yws h GLU 68 CO -0.31 1.23 0.13 0.93 -0.73 0.00 0.00 179.01 180.25 1yws h GLU 69 N 0.61 0.82 0.00 1.92 4.39 -0.57 -2.62 114.58 119.13 1yws h GLU 69 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1yws h GLU 69 Cb 1.28 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1yws h GLU 69 CO 0.14 0.74 -0.57 0.00 -1.16 0.00 0.00 179.01 178.16 1yws h ALA 70 N 1.35 0.68 -0.51 3.43 0.00 -0.82 -3.48 119.26 119.90 1yws h ALA 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yws h ALA 70 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yws h ALA 70 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yws n GLY 71 N 1.23 0.94 2.42 0.00 0.00 -0.83 -4.89 105.19 104.06 1yws n GLY 71 Ca 0.02 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1yws n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yws n ILE 72 N -2.15 0.00 -2.69 -0.61 5.41 0.78 -5.03 119.36 115.07 1yws n ILE 72 Ca 0.00 -1.03 -0.41 0.00 1.00 0.00 0.00 62.75 62.31 1yws n ILE 72 Cb 0.36 -0.99 -0.04 0.00 -0.71 0.00 0.00 39.64 38.25 1yws n ILE 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1yws s HIS 73 N -1.70 3.78 0.24 1.39 3.76 -1.26 -4.74 115.29 116.76 1yws s HIS 73 Ca 0.41 1.76 -0.31 0.00 -0.15 0.00 0.00 55.06 56.76 1yws s HIS 73 Cb -0.02 -3.10 -0.12 0.00 1.11 0.00 0.00 32.58 30.45 1yws s HIS 73 CO 0.27 0.05 1.68 -1.25 -0.85 0.00 0.00 174.74 174.64 1yws s PRO 74 N -0.10 4.12 0.80 8.40 0.04 -1.26 -4.94 135.00 142.06 1yws s PRO 74 Ca 0.47 2.61 -0.11 0.00 0.04 0.00 0.00 61.00 64.01 1yws s PRO 74 Cb -0.25 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.31 1yws s PRO 74 CO 0.31 -0.72 1.09 -1.25 0.04 0.00 0.00 177.00 176.47 1yws s PRO 75 N 0.57 2.04 0.70 0.56 0.04 -1.26 -5.04 135.00 132.61 1yws s PRO 75 Ca 0.71 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1yws s PRO 75 Cb -0.49 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1yws s PRO 75 CO 0.38 -1.67 1.07 -1.83 0.04 0.00 0.00 177.00 174.99 1yws s GLU 76 N -5.09 2.81 0.45 4.56 -1.05 -1.26 -4.97 118.70 114.13 1yws s GLU 76 Ca 0.61 1.04 -0.25 0.00 -0.15 0.00 0.00 54.97 56.23 1yws s GLU 76 Cb -0.15 -1.97 -0.09 0.00 -0.44 0.00 0.00 34.13 31.48 1yws s GLU 76 CO 0.55 -1.21 1.32 -0.35 0.95 0.00 0.00 175.26 176.52 1yws n PRO 77 N -3.10 1.97 -4.33 -4.83 -0.04 -1.26 -5.03 135.00 118.38 1yws n PRO 77 Ca 0.08 0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 63.97 1yws n PRO 77 Cb 0.53 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.22 1.81 -0.90 0.52 -4.36 -1.26 -5.03 121.20 110.76 1yws s ILE 78 Ca 0.63 -1.79 0.23 0.00 -0.26 0.00 0.00 60.65 59.46 1yws s ILE 78 Cb -0.48 -2.60 -0.10 0.00 1.25 0.00 0.00 42.46 40.54 1yws s ILE 78 CO 0.57 0.00 1.16 0.00 0.24 0.00 0.00 174.94 176.91 1yws n ALA 79 N -1.31 3.88 -0.78 2.27 0.00 -1.26 -5.06 120.51 118.26 1yws n ALA 79 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1yws n ALA 79 Cb 0.66 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1yws n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws n ALA 80 N -1.58 0.00 -0.04 0.00 0.00 -1.26 -4.68 120.51 112.94 1yws n ALA 80 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1yws n ALA 80 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 1yws n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws n ALA 81 N 1.33 1.92 0.65 0.00 0.00 -1.26 -5.12 120.51 118.03 1yws n ALA 81 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.14 1yws n ALA 81 Cb 0.00 0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.83 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50