#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 -3.85 -4.44 6.12 7.64 -1.26 -4.42 113.62 113.40 1yws n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1yws n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.00 4.51 0.07 0.44 -4.23 -1.26 -4.63 115.64 110.54 1yws s THR 3 Ca 0.00 -0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1yws s THR 3 Cb 0.00 -4.57 -0.29 0.00 1.34 0.00 0.00 72.50 68.98 1yws s THR 3 CO 0.00 -1.25 1.13 0.22 -0.54 0.00 0.00 174.62 174.18 1yws h TYR 4 N 9.38 0.51 -2.32 3.99 3.20 -1.77 -3.46 116.97 126.49 1yws h TYR 4 Ca -0.28 -0.37 -0.58 0.00 3.14 0.00 0.00 58.73 60.64 1yws h TYR 4 Cb 1.08 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.22 1yws h TYR 4 CO 0.90 1.29 -0.68 -0.51 -1.64 0.00 0.00 178.16 177.52 1yws s ASP 5 N -7.16 4.28 -0.18 -2.11 1.11 -1.26 -5.03 116.67 106.32 1yws s ASP 5 Ca -0.04 -0.73 -0.04 0.00 0.18 0.00 0.00 52.55 51.92 1yws s ASP 5 Cb 0.07 -0.70 0.08 0.00 1.07 0.00 0.00 42.92 43.44 1yws s ASP 5 CO 0.88 0.02 0.17 -0.70 1.18 0.00 0.00 175.17 176.73 1yws s GLU 6 N -3.51 0.13 -0.04 8.23 2.12 -1.25 -0.08 118.70 124.29 1yws s GLU 6 Ca 0.30 0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.80 1yws s GLU 6 Cb -0.06 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.93 1yws s GLU 6 CO 0.18 -0.64 -0.19 0.42 -0.54 0.00 0.00 175.26 174.50 1yws s ILE 7 N 2.25 2.67 0.29 -3.70 1.09 0.16 -4.80 121.20 119.16 1yws s ILE 7 Ca 0.05 -0.87 -0.30 0.00 -1.10 0.00 0.00 60.65 58.43 1yws s ILE 7 Cb -0.16 -2.01 -0.12 0.00 -1.06 0.00 0.00 42.46 39.11 1yws s ILE 7 CO -0.10 0.58 1.53 -0.62 -0.10 0.00 0.00 174.94 176.23 1yws n GLU 8 N 2.42 2.50 0.01 2.79 1.02 -1.26 0.36 120.64 128.48 1yws n GLU 8 Ca -0.17 0.89 0.20 0.00 -0.02 0.00 0.00 57.16 58.06 1yws n GLU 8 Cb 0.52 -2.63 0.70 0.00 -0.02 0.00 0.00 31.44 30.01 1yws n GLU 8 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1yws h ILE 9 N 3.21 0.69 0.00 -3.67 2.10 -0.68 -0.85 117.51 118.31 1yws h ILE 9 Ca -0.47 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.47 1yws h ILE 9 Cb 1.24 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1yws h ILE 9 CO 0.77 0.00 -0.04 -0.33 -1.08 0.00 0.00 178.15 177.47 1yws h GLU 10 N 0.00 0.00 0.21 2.19 5.08 -1.89 -2.92 114.58 117.25 1yws h GLU 10 Ca 0.25 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.26 1yws h GLU 10 Cb 1.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.28 1yws h GLU 10 CO -0.00 0.04 -1.68 0.22 -1.00 0.00 0.00 179.01 176.58 1yws h ASP 11 N 0.00 0.68 -3.99 1.42 3.58 -1.52 -3.46 116.42 113.14 1yws h ASP 11 Ca -0.00 -0.93 -0.54 0.00 0.42 0.00 0.00 57.03 55.98 1yws h ASP 11 Cb 0.07 -0.22 0.12 0.00 1.72 0.00 0.00 39.33 41.02 1yws h ASP 11 CO 0.00 1.77 0.70 -0.04 -2.88 0.00 0.00 179.24 178.79 1yws s MET 12 N -2.59 3.70 -0.12 0.28 -1.94 -1.10 -4.94 119.30 112.59 1yws s MET 12 Ca -0.14 2.41 -0.29 0.00 -1.71 0.00 0.00 55.69 55.96 1yws s MET 12 Cb 0.05 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 1yws s MET 12 CO 0.88 -0.80 1.03 0.99 -0.01 0.00 0.00 175.02 177.10 1yws s THR 13 N -1.20 4.73 0.19 2.05 2.01 0.11 -4.83 115.64 118.70 1yws s THR 13 Ca 0.61 2.01 -0.24 0.00 0.31 0.00 0.00 61.69 64.38 1yws s THR 13 Cb -0.44 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 67.70 1yws s THR 13 CO 0.56 -0.02 0.77 0.72 -0.69 0.00 0.00 174.62 175.96 1yws s PHE 14 N 2.19 3.82 -0.44 4.92 -0.71 -1.26 0.42 117.98 126.91 1yws s PHE 14 Ca 0.48 1.57 0.03 0.00 -1.04 0.00 0.00 56.93 57.97 1yws s PHE 14 Cb -0.18 -2.73 0.13 0.00 -1.21 0.00 0.00 43.02 39.02 1yws s PHE 14 CO 0.17 0.44 0.21 -2.00 -1.34 0.00 0.00 175.22 172.70 1yws s GLU 15 N -1.46 1.48 0.48 1.99 -6.30 0.11 -4.90 118.70 110.09 1yws s GLU 15 Ca 0.39 -2.10 0.23 0.00 -2.50 0.00 0.00 54.97 50.98 1yws s GLU 15 Cb -0.21 -2.72 1.22 0.00 0.00 0.00 0.00 34.13 32.42 1yws s GLU 15 CO 0.24 -1.10 2.00 -1.00 0.02 0.00 0.00 175.26 175.42 1yws h PRO 16 N 6.89 0.00 0.00 4.30 0.13 -1.96 -1.97 132.00 139.39 1yws h PRO 16 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1yws h PRO 16 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1yws h PRO 16 CO 0.55 0.18 -0.43 0.93 -0.23 0.00 0.00 178.00 179.01 1yws h GLU 17 N 0.00 0.00 -0.22 0.86 5.08 -1.92 -2.53 114.58 115.84 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 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1yws h GLU 17 CO 0.02 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 1yws n ASN 18 N -3.88 2.71 -3.41 1.42 3.02 -1.01 -4.98 115.26 109.14 1yws n ASN 18 Ca -0.01 -1.80 -0.24 0.00 -0.03 0.00 0.00 54.58 52.50 1yws n ASN 18 Cb 0.47 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.86 -6.30 -4.16 3.52 3.00 -0.81 -4.90 117.38 108.59 1yws n GLN 19 Ca 0.12 0.81 -0.12 0.00 -0.01 0.00 0.00 57.00 57.80 1yws n GLN 19 Cb 0.43 -5.76 -0.08 0.00 0.00 0.00 0.00 30.24 24.82 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 -6.11 1.38 0.09 -1.09 0.23 -0.81 -1.01 119.30 111.98 1yws s MET 20 Ca 0.48 -1.59 0.08 0.00 -1.03 0.00 0.00 55.69 53.63 1yws s MET 20 Cb -0.22 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1yws s MET 20 CO 0.60 -0.50 -0.18 -0.06 -2.03 0.00 0.00 175.02 172.85 1yws s PHE 21 N -3.99 2.56 0.20 3.16 0.40 0.49 0.05 117.98 120.84 1yws s PHE 21 Ca 0.35 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1yws s PHE 21 Cb 0.04 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 1yws s PHE 21 CO 0.13 0.34 0.06 0.95 0.70 0.00 0.00 175.22 177.41 1yws s THR 22 N -1.07 0.45 -0.11 0.64 -4.23 0.17 -1.71 115.64 109.77 1yws s THR 22 Ca 0.17 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1yws s THR 22 Cb -0.11 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.45 1yws s THR 22 CO 0.09 -0.25 0.18 -0.47 -0.54 0.00 0.00 174.62 173.63 1yws s TYR 23 N -3.83 -0.22 -0.27 3.99 5.04 -1.01 -0.71 117.35 120.35 1yws s TYR 23 Ca 0.31 0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 55.21 1yws s TYR 23 Cb 0.07 -0.26 -0.07 0.00 0.35 0.00 0.00 41.96 42.05 1yws s TYR 23 CO 0.08 -0.35 2.22 -2.30 -1.34 0.00 0.00 175.55 173.87 1yws n PRO 24 N 5.33 1.65 -4.71 4.97 -0.02 -1.26 -1.78 135.00 139.18 1yws n PRO 24 Ca -0.05 0.44 -0.26 0.00 -2.02 0.00 0.00 63.50 61.62 1yws n PRO 24 Cb 0.50 -2.99 -0.16 0.00 -0.02 0.00 0.00 33.50 30.82 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 0.48 4.23 0.00 0.00 0.02 -1.26 -4.43 135.00 134.04 1yws s PRO 26 Ca -0.13 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1yws s PRO 26 Cb -0.15 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.71 1yws s PRO 26 CO 0.04 -0.67 0.00 0.00 -0.33 0.00 0.00 177.00 176.04 1yws n GLY 28 N -1.01 0.12 3.33 0.00 0.00 -1.26 -4.93 105.19 101.44 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 0.96 0.19 1.61 -1.08 -1.25 -5.02 116.67 112.08 1yws s ASP 29 Ca 0.00 -1.54 0.10 0.00 -0.52 0.00 0.00 52.55 50.59 1yws s ASP 29 Cb 0.00 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1yws s ASP 29 CO 0.00 -1.07 -0.12 0.00 0.52 0.00 0.00 175.17 174.50 1yws s ARG 30 N -3.58 1.94 0.20 4.34 1.70 -1.26 -4.34 118.95 117.95 1yws s ARG 30 Ca 0.37 -1.35 -0.32 0.00 -0.47 0.00 0.00 55.73 53.96 1yws s ARG 30 Cb 0.03 -2.08 -0.15 0.00 -0.57 0.00 0.00 34.95 32.18 1yws s ARG 30 CO 0.20 0.42 1.23 1.19 -1.08 0.00 0.00 175.30 177.26 1yws n PHE 31 N 0.01 1.54 -4.40 5.89 3.01 -0.73 -4.34 117.46 118.44 1yws n PHE 31 Ca -0.11 0.61 -0.21 0.00 1.01 0.00 0.00 57.45 58.75 1yws n PHE 31 Cb 0.56 -2.33 -0.16 0.00 -0.01 0.00 0.00 39.48 37.54 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 -0.43 1.11 -0.17 -1.08 -2.07 0.76 -2.40 119.66 115.38 1yws s GLN 32 Ca 0.71 -0.29 -0.08 0.00 -1.82 0.00 0.00 55.36 53.88 1yws s GLN 32 Cb -0.79 -1.01 0.07 0.00 -1.09 0.00 0.00 33.01 30.19 1yws s GLN 32 CO 0.52 0.06 0.40 -1.50 -1.32 0.00 0.00 175.29 173.44 1yws s ILE 33 N 0.44 -0.25 0.08 3.63 2.07 -0.69 -2.02 121.20 124.45 1yws s ILE 33 Ca -0.07 0.13 -0.22 0.00 -1.41 0.00 0.00 60.65 59.08 1yws s ILE 33 Cb -0.11 -0.61 -0.07 0.00 0.13 0.00 0.00 42.46 41.80 1yws s ILE 33 CO 0.01 0.05 0.65 -0.31 -1.91 0.00 0.00 174.94 173.44 1yws s TYR 34 N 1.86 3.80 0.40 3.50 2.02 -1.26 -0.38 117.35 127.28 1yws s TYR 34 Ca -0.06 1.37 0.10 0.00 -0.37 0.00 0.00 57.07 58.11 1yws s TYR 34 Cb -0.10 -2.63 0.82 0.00 -0.40 0.00 0.00 41.96 39.65 1yws s TYR 34 CO -0.12 0.48 1.93 1.25 -1.57 0.00 0.00 175.55 177.51 1yws h LEU 35 N 4.88 0.19 -1.82 -1.29 7.12 -1.42 -2.11 115.31 120.86 1yws h LEU 35 Ca -0.47 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.48 1yws h LEU 35 Cb 1.21 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1yws h LEU 35 CO 0.66 0.35 -0.10 -0.78 -0.13 0.00 0.00 178.44 178.45 1yws h ASP 36 N 0.19 0.00 0.72 1.25 3.58 -1.93 0.23 116.42 120.46 1yws h ASP 36 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.23 1yws h ASP 36 Cb 0.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1yws h ASP 36 CO 0.02 0.10 -1.27 0.44 -2.88 0.00 0.00 179.24 175.65 1yws h ASP 37 N 0.00 0.20 0.01 2.28 5.19 -1.73 -3.26 116.42 119.11 1yws h ASP 37 Ca -0.00 -0.24 -0.10 0.00 -0.62 0.00 0.00 57.03 56.07 1yws h ASP 37 Cb 0.17 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1yws h ASP 37 CO 0.01 1.20 -0.29 0.24 -3.12 0.00 0.00 179.24 177.28 1yws h MET 38 N 0.04 0.43 0.00 3.56 2.86 -0.84 -1.38 114.93 119.59 1yws h MET 38 Ca -0.13 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1yws h MET 38 Cb 1.91 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.54 1yws h MET 38 CO 0.15 0.68 -0.10 0.35 1.06 0.00 0.00 176.91 179.04 1yws h PHE 39 N 0.37 0.00 0.00 -0.22 3.57 -1.08 -1.21 116.94 118.37 1yws h PHE 39 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1yws h PHE 39 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1yws h PHE 39 CO 0.02 0.10 0.00 0.39 -2.23 0.00 0.00 178.31 176.59 1yws n GLU 40 N -3.61 0.11 0.00 1.11 1.02 -0.53 -4.88 120.64 113.86 1yws n GLU 40 Ca -0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1yws n GLU 40 Cb 0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1yws n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yws n GLY 41 N 0.98 0.90 3.75 0.62 0.00 -0.46 -5.07 105.19 105.91 1yws n GLY 41 Ca 0.05 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 -0.65 4.31 -0.29 1.61 2.56 -1.16 -5.01 118.70 120.08 1yws s GLU 42 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 54.97 55.62 1yws s GLU 42 Cb 0.00 -3.36 0.11 0.00 2.00 0.00 0.00 34.13 32.88 1yws s GLU 42 CO 0.00 0.31 0.18 -1.59 -0.56 0.00 0.00 175.26 173.60 1yws s LYS 43 N 0.02 0.23 -0.29 4.30 0.00 -1.26 -3.27 119.74 119.46 1yws s LYS 43 Ca 0.30 -0.41 -0.15 0.00 0.00 0.00 0.00 55.97 55.71 1yws s LYS 43 Cb -0.17 -1.02 0.14 0.00 0.00 0.00 0.00 37.83 36.77 1yws s LYS 43 CO 0.16 -1.02 0.91 0.54 0.00 0.00 0.00 175.35 175.94 1yws s VAL 44 N 2.18 -0.15 -0.09 1.79 0.11 -1.26 -2.90 120.40 120.08 1yws s VAL 44 Ca 0.09 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.09 1yws s VAL 44 Cb -0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1yws s VAL 44 CO -0.36 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.55 1yws s ALA 45 N 1.68 3.84 -0.05 1.54 0.00 0.10 -4.81 121.76 124.06 1yws s ALA 45 Ca -0.08 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.24 1yws s ALA 45 Cb -0.05 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1yws s ALA 45 CO -0.16 0.65 -0.21 0.54 0.00 0.00 0.00 175.76 176.58 1yws s VAL 46 N -1.09 2.46 -0.39 0.00 0.11 -0.86 -0.83 120.40 119.81 1yws s VAL 46 Ca 0.18 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 58.15 1yws s VAL 46 Cb -0.12 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.81 1yws s VAL 46 CO 0.07 0.57 0.29 0.00 -3.33 0.00 0.00 175.10 172.71 1yws s PRO 48 N 1.74 1.79 0.00 0.00 0.04 -1.26 0.58 135.00 137.88 1yws s PRO 48 Ca 0.06 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1yws s PRO 48 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1yws s PRO 48 CO 0.10 -2.07 0.00 0.43 0.04 0.00 0.00 177.00 175.51 1yws n SER 49 N -3.28 0.00 0.01 6.66 7.64 -1.26 -3.83 113.62 119.55 1yws n SER 49 Ca 0.12 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.11 1yws n SER 49 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.09 -3.44 -4.72 0.00 2.88 0.19 -4.98 113.62 101.46 1yws n SER 51 Ca -0.01 -0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 1yws n SER 51 Cb 0.50 -2.68 -0.05 0.00 -0.75 0.00 0.00 64.21 61.23 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 -2.94 4.33 -0.06 2.46 0.20 -1.03 -4.75 118.68 116.88 1yws s LEU 52 Ca 0.00 1.21 0.04 0.00 0.69 0.00 0.00 54.13 56.06 1yws s LEU 52 Cb 0.00 -3.09 -0.02 0.00 -0.43 0.00 0.00 46.19 42.65 1yws s LEU 52 CO 0.00 -0.10 -0.16 -0.04 -0.29 0.00 0.00 176.35 175.76 1yws s MET 53 N 0.69 2.65 -0.01 1.98 -1.94 -1.26 0.22 119.30 121.63 1yws s MET 53 Ca 0.37 -0.74 -0.03 0.00 -1.71 0.00 0.00 55.69 53.59 1yws s MET 53 Cb -0.18 -2.37 -0.00 0.00 2.01 0.00 0.00 34.83 34.29 1yws s MET 53 CO 0.18 0.51 0.05 0.96 -0.01 0.00 0.00 175.02 176.71 1yws s ILE 54 N -0.43 0.04 0.46 2.53 -5.25 -0.01 -4.02 121.20 114.52 1yws s ILE 54 Ca 0.05 -0.35 -0.11 0.00 -0.99 0.00 0.00 60.65 59.25 1yws s ILE 54 Cb -0.12 -0.20 -0.06 0.00 2.95 0.00 0.00 42.46 45.03 1yws s ILE 54 CO 0.02 -0.19 0.85 -0.62 -1.79 0.00 0.00 174.94 173.21 1yws s ASP 55 N -0.58 6.47 -0.07 4.36 -1.08 0.88 0.03 116.67 126.68 1yws s ASP 55 Ca -0.07 1.23 0.01 0.00 -0.52 0.00 0.00 52.55 53.20 1yws s ASP 55 Cb -0.04 -2.37 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1yws s ASP 55 CO 0.00 -0.52 -0.07 -0.69 0.52 0.00 0.00 175.17 174.41 1yws s VAL 56 N -2.57 0.80 -0.65 1.11 1.01 -1.14 -0.66 120.40 118.29 1yws s VAL 56 Ca 0.53 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 1yws s VAL 56 Cb -0.10 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.53 1yws s VAL 56 CO 0.36 0.31 0.93 -0.69 0.00 0.00 0.00 175.10 176.01 1yws s VAL 57 N 1.26 4.38 0.35 2.92 1.01 0.16 -4.82 120.40 125.65 1yws s VAL 57 Ca -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1yws s VAL 57 Cb -0.14 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1yws s VAL 57 CO -0.02 -1.42 0.55 0.72 0.00 0.00 0.00 175.10 174.93 1yws s PHE 58 N 3.90 3.48 0.14 5.22 -0.12 -1.26 0.09 117.98 129.44 1yws s PHE 58 Ca 0.21 0.33 0.09 0.00 -0.05 0.00 0.00 56.93 57.51 1yws s PHE 58 Cb -0.18 -1.91 -0.04 0.00 -0.63 0.00 0.00 43.02 40.26 1yws s PHE 58 CO 0.10 0.10 -0.16 0.34 -0.05 0.00 0.00 175.22 175.55 1yws s ASP 59 N -4.05 3.94 0.16 1.98 2.15 -1.26 -4.96 116.67 114.64 1yws s ASP 59 Ca 0.40 -0.60 -0.15 0.00 0.43 0.00 0.00 52.55 52.63 1yws s ASP 59 Cb -0.10 -0.56 0.06 0.00 -0.30 0.00 0.00 42.92 42.02 1yws s ASP 59 CO 0.36 0.15 1.79 0.11 -0.17 0.00 0.00 175.17 177.41 1yws h LYS 60 N 3.45 0.45 0.05 4.34 1.57 -1.99 -0.52 116.57 123.92 1yws h LYS 60 Ca -0.49 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.02 1yws h LYS 60 Cb 1.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1yws h LYS 60 CO 0.48 0.30 -1.18 0.93 -0.57 0.00 0.00 179.45 179.41 1yws h GLU 61 N 0.46 0.11 -0.46 3.15 5.08 -1.99 -2.76 114.58 118.18 1yws h GLU 61 Ca 0.17 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1yws h GLU 61 Cb 0.04 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1yws h GLU 61 CO -0.09 1.05 0.12 0.22 -1.00 0.00 0.00 179.01 179.31 1yws h ASP 62 N 0.03 0.69 -0.25 1.42 1.82 -1.93 -0.72 116.42 117.49 1yws h ASP 62 Ca -0.09 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1yws h ASP 62 Cb 1.88 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.69 1yws h ASP 62 CO 0.15 0.74 0.15 -0.07 -1.61 0.00 0.00 179.24 178.60 1yws h LEU 63 N 0.61 0.30 -0.76 2.28 3.38 -1.11 -0.86 115.31 119.15 1yws h LEU 63 Ca 0.15 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1yws h LEU 63 Cb 0.31 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1yws h LEU 63 CO 0.00 0.27 0.44 0.00 0.09 0.00 0.00 178.44 179.24 1yws h ALA 64 N 1.04 1.05 -0.42 1.53 0.00 -1.32 0.25 119.26 121.40 1yws h ALA 64 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1yws h ALA 64 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1yws h ALA 64 CO -0.02 0.11 0.18 1.49 0.00 0.00 0.00 179.25 181.01 1yws h GLU 65 N 0.77 0.62 -0.18 0.00 4.57 -0.74 -2.82 114.58 116.81 1yws h GLU 65 Ca 0.35 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.28 1yws h GLU 65 Cb 0.25 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1yws h GLU 65 CO -0.21 0.57 -0.50 -0.92 -1.18 0.00 0.00 179.01 176.77 1yws h TYR 66 N 0.54 0.60 -0.76 0.92 3.20 -0.56 -1.64 116.97 119.27 1yws h TYR 66 Ca 0.14 -0.20 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1yws h TYR 66 Cb 0.17 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1yws h TYR 66 CO -0.00 0.89 0.44 -0.92 -1.64 0.00 0.00 178.16 176.93 1yws h TYR 67 N 0.39 0.81 -0.00 -3.82 3.20 -0.34 0.21 116.97 117.42 1yws h TYR 67 Ca 0.02 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.76 1yws h TYR 67 Cb 1.01 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1yws h TYR 67 CO 0.04 0.38 -0.75 0.93 -1.64 0.00 0.00 178.16 177.12 1yws h GLU 68 N 0.80 0.01 0.66 1.82 5.08 -1.35 0.18 114.58 121.77 1yws h GLU 68 Ca 0.34 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1yws h GLU 68 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1yws h GLU 68 CO -0.19 0.75 -0.32 1.49 -1.00 0.00 0.00 179.01 179.74 1yws h GLU 69 N 0.00 -0.85 0.00 2.33 4.57 -0.19 -3.18 114.58 117.27 1yws h GLU 69 Ca -0.01 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1yws h GLU 69 Cb 1.33 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 1yws h GLU 69 CO 0.10 -0.53 -0.37 0.00 -1.18 0.00 0.00 179.01 177.03 1yws h ALA 70 N -0.84 0.93 -1.63 2.92 0.00 -0.74 -3.48 119.26 116.42 1yws h ALA 70 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1yws h ALA 70 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yws h ALA 70 CO 0.15 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1yws n GLY 71 N 0.42 0.46 2.29 0.00 0.00 -0.39 -4.89 105.19 103.08 1yws n GLY 71 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.83 0.00 -2.52 -0.61 5.41 -0.09 -5.01 119.36 115.71 1yws n ILE 72 Ca 0.00 -0.68 -0.42 0.00 1.00 0.00 0.00 62.75 62.65 1yws n ILE 72 Cb 0.41 -1.53 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 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 -2.43 3.52 -0.13 1.39 3.76 -1.26 -4.93 115.29 115.21 1yws s HIS 73 Ca 0.43 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.49 1yws s HIS 73 Cb -0.01 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 1yws s HIS 73 CO 0.30 -0.84 1.81 -1.25 -0.85 0.00 0.00 174.74 173.90 1yws s PRO 74 N 0.99 3.84 0.52 8.40 0.04 -1.26 -5.01 135.00 142.53 1yws s PRO 74 Ca 0.56 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 1yws s PRO 74 Cb -0.27 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1yws s PRO 74 CO 0.29 -1.26 0.79 -1.25 0.04 0.00 0.00 177.00 175.61 1yws s PRO 75 N 4.78 3.00 0.60 0.56 0.04 -1.26 -5.09 135.00 137.63 1yws s PRO 75 Ca 0.81 -0.24 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1yws s PRO 75 Cb -0.32 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1yws s PRO 75 CO 0.33 -0.48 1.05 -1.83 0.04 0.00 0.00 177.00 176.11 1yws s GLU 76 N -4.78 3.34 0.33 4.56 1.03 -1.26 -4.97 118.70 116.95 1yws s GLU 76 Ca 0.51 1.13 -0.28 0.00 0.03 0.00 0.00 54.97 56.36 1yws s GLU 76 Cb -0.10 -2.04 -0.13 0.00 -0.80 0.00 0.00 34.13 31.06 1yws s GLU 76 CO 0.42 -0.79 1.22 -0.35 -1.33 0.00 0.00 175.26 174.43 1yws n PRO 77 N -2.15 1.95 -3.29 -4.83 -0.04 -1.26 -4.98 135.00 120.41 1yws n PRO 77 Ca 0.08 0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 63.93 1yws n PRO 77 Cb 0.53 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.09 4.97 -1.25 0.52 -4.36 -1.26 -5.00 121.20 113.74 1yws s ILE 78 Ca 0.56 0.22 -0.16 0.00 -0.26 0.00 0.00 60.65 61.01 1yws s ILE 78 Cb -0.60 -3.71 0.12 0.00 1.25 0.00 0.00 42.46 39.52 1yws s ILE 78 CO 0.62 -0.30 1.58 0.00 0.24 0.00 0.00 174.94 177.07 1yws s ALA 79 N -2.07 3.65 0.00 2.27 0.00 -1.26 -4.41 121.76 119.94 1yws s ALA 79 Ca 0.46 -3.13 0.13 0.00 0.00 0.00 0.00 51.96 49.42 1yws s ALA 79 Cb -0.11 -4.38 0.22 0.00 0.00 0.00 0.00 23.12 18.85 1yws s ALA 79 CO 0.28 -3.04 1.08 0.00 0.00 0.00 0.00 175.76 174.09 1yws n ALA 80 N 7.01 3.01 1.02 0.00 0.00 -1.26 -4.89 120.51 125.40 1yws n ALA 80 Ca 0.42 -1.53 0.11 0.00 0.00 0.00 0.00 53.44 52.44 1yws n ALA 80 Cb 0.44 -0.54 0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 0.25 4.07 -1.06 0.00 0.00 -1.26 -5.15 120.51 117.36 1yws n ALA 81 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1yws n ALA 81 Cb 0.93 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50