#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 0.24 -0.40 7.83 0.01 -1.26 -5.13 113.70 114.99 1yws s SER 2 Ca 0.00 -0.84 -0.21 0.00 1.31 0.00 0.00 55.95 56.21 1yws s SER 2 Cb 0.00 0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.55 1yws s SER 2 CO 0.00 -0.71 0.67 0.42 0.41 0.00 0.00 173.24 174.03 1yws s THR 3 N -3.91 4.82 -0.21 1.44 -4.23 -1.26 -4.81 115.64 107.49 1yws s THR 3 Ca 0.09 0.41 0.19 0.00 -1.18 0.00 0.00 61.69 61.20 1yws s THR 3 Cb 0.06 -4.16 0.02 0.00 1.34 0.00 0.00 72.50 69.75 1yws s THR 3 CO -0.08 -0.48 1.15 1.88 -0.54 0.00 0.00 174.62 176.55 1yws h TYR 4 N 8.68 0.00 -4.19 3.99 -1.99 -1.99 -3.47 116.97 118.01 1yws h TYR 4 Ca -0.26 0.00 -0.69 0.00 2.00 0.00 0.00 58.73 59.78 1yws h TYR 4 Cb 1.10 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.58 1yws h TYR 4 CO 0.75 0.32 -0.87 -0.51 -0.00 0.00 0.00 178.16 177.86 1yws s ASP 5 N -5.90 3.28 -0.19 3.88 1.11 -1.26 -5.06 116.67 112.52 1yws s ASP 5 Ca 0.01 -0.59 -0.05 0.00 0.18 0.00 0.00 52.55 52.10 1yws s ASP 5 Cb 0.08 -0.32 0.07 0.00 1.07 0.00 0.00 42.92 43.82 1yws s ASP 5 CO 0.77 0.25 0.11 -0.70 1.18 0.00 0.00 175.17 176.77 1yws s GLU 6 N -1.40 0.09 0.27 8.23 2.12 -1.26 -0.58 118.70 126.17 1yws s GLU 6 Ca 0.13 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.40 1yws s GLU 6 Cb -0.10 -1.67 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1yws s GLU 6 CO 0.03 -0.73 0.07 0.42 -0.54 0.00 0.00 175.26 174.51 1yws s ILE 7 N 2.15 3.63 0.42 -3.70 1.09 -0.52 -4.91 121.20 119.36 1yws s ILE 7 Ca 0.03 -1.75 -0.22 0.00 -1.10 0.00 0.00 60.65 57.62 1yws s ILE 7 Cb -0.16 -3.01 -0.11 0.00 -1.06 0.00 0.00 42.46 38.13 1yws s ILE 7 CO -0.14 -0.34 0.96 -1.61 -0.10 0.00 0.00 174.94 173.71 1yws s GLU 8 N -3.75 4.24 0.52 2.79 8.01 -1.26 0.37 118.70 129.63 1yws s GLU 8 Ca 0.33 1.19 0.19 0.00 0.01 0.00 0.00 54.97 56.69 1yws s GLU 8 Cb -0.06 -2.28 1.32 0.00 -4.31 0.00 0.00 34.13 28.80 1yws s GLU 8 CO 0.22 -0.02 2.10 0.97 0.01 0.00 0.00 175.26 178.53 1yws h ILE 9 N 2.00 0.90 0.00 -1.63 2.10 -1.01 -1.53 117.51 118.33 1yws h ILE 9 Ca -0.49 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.39 1yws h ILE 9 Cb 1.19 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1yws h ILE 9 CO 0.61 0.00 -0.31 1.05 -1.08 0.00 0.00 178.15 178.42 1yws h GLU 10 N 0.00 0.00 0.02 2.19 4.11 -1.92 -3.14 114.58 115.84 1yws h GLU 10 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.25 1yws h GLU 10 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1yws h GLU 10 CO -0.00 0.31 -1.07 0.22 0.07 0.00 0.00 179.01 178.54 1yws h ASP 11 N 0.00 0.86 -4.24 3.06 3.58 -1.66 -3.45 116.42 114.57 1yws h ASP 11 Ca -0.00 -0.71 -0.52 0.00 0.42 0.00 0.00 57.03 56.21 1yws h ASP 11 Cb 0.64 -0.27 0.16 0.00 1.72 0.00 0.00 39.33 41.59 1yws h ASP 11 CO 0.04 1.51 0.32 -0.04 -2.88 0.00 0.00 179.24 178.20 1yws s MET 12 N -3.25 1.90 -0.46 0.28 -1.94 -1.19 -4.96 119.30 109.69 1yws s MET 12 Ca -0.09 1.53 -0.22 0.00 -1.71 0.00 0.00 55.69 55.20 1yws s MET 12 Cb 0.07 -1.83 0.03 0.00 2.01 0.00 0.00 34.83 35.11 1yws s MET 12 CO 0.92 -1.97 0.72 0.99 -0.01 0.00 0.00 175.02 175.66 1yws s THR 13 N -2.41 4.73 0.12 2.05 2.01 0.58 -4.91 115.64 117.80 1yws s THR 13 Ca 0.68 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1yws s THR 13 Cb -0.24 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 67.93 1yws s THR 13 CO 0.51 -0.70 1.00 0.72 -0.69 0.00 0.00 174.62 175.45 1yws s PHE 14 N 3.06 3.76 -0.41 4.92 -0.71 -1.26 -0.29 117.98 127.05 1yws s PHE 14 Ca 0.25 1.75 0.02 0.00 -1.04 0.00 0.00 56.93 57.90 1yws s PHE 14 Cb -0.14 -3.11 0.11 0.00 -1.21 0.00 0.00 43.02 38.67 1yws s PHE 14 CO 0.20 0.00 0.15 -2.00 -1.34 0.00 0.00 175.22 172.23 1yws s GLU 15 N -0.02 1.77 0.50 1.99 2.56 0.84 -4.93 118.70 121.40 1yws s GLU 15 Ca 0.48 -2.04 0.16 0.00 0.00 0.00 0.00 54.97 53.57 1yws s GLU 15 Cb -0.25 -3.36 1.21 0.00 2.00 0.00 0.00 34.13 33.73 1yws s GLU 15 CO 0.31 -1.02 2.10 -1.00 -0.56 0.00 0.00 175.26 175.09 1yws h PRO 16 N 7.49 0.00 0.00 4.30 0.13 -1.93 0.16 132.00 142.15 1yws h PRO 16 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1yws h PRO 16 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1yws h PRO 16 CO 0.61 0.06 -0.17 0.93 -0.23 0.00 0.00 178.00 179.20 1yws h GLU 17 N 0.00 0.00 0.00 0.86 5.08 -1.93 -2.82 114.58 115.77 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 0.17 -0.72 -1.71 -1.00 0.00 0.00 179.01 175.76 1yws n ASN 18 N -3.40 0.83 -1.66 1.42 4.05 -0.71 -5.01 115.26 110.78 1yws n ASN 18 Ca -0.00 -0.65 -0.11 0.00 0.45 0.00 0.00 54.58 54.26 1yws n ASN 18 Cb 0.36 1.09 0.02 0.00 1.23 0.00 0.00 39.78 42.48 1yws n ASN 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1yws n GLN 19 N -1.38 -2.50 -3.87 1.20 3.00 0.47 -5.01 117.38 109.29 1yws n GLN 19 Ca 0.02 0.47 -0.09 0.00 -0.01 0.00 0.00 57.00 57.39 1yws n GLN 19 Cb 0.21 -4.41 -0.01 0.00 0.00 0.00 0.00 30.24 26.03 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 -5.11 1.98 -0.08 -1.09 0.23 -0.96 -4.45 119.30 109.81 1yws s MET 20 Ca 0.15 -1.29 -0.03 0.00 -1.03 0.00 0.00 55.69 53.50 1yws s MET 20 Cb -0.07 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 33.78 1yws s MET 20 CO 0.19 -0.90 0.04 -0.06 -2.03 0.00 0.00 175.02 172.26 1yws s PHE 21 N -3.13 3.26 0.18 3.16 0.40 -1.19 -0.11 117.98 120.55 1yws s PHE 21 Ca 0.16 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 1yws s PHE 21 Cb -0.05 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1yws s PHE 21 CO 0.10 0.53 -0.04 0.95 0.70 0.00 0.00 175.22 177.46 1yws s THR 22 N -0.94 1.02 -0.08 0.64 -4.23 0.61 -2.64 115.64 110.01 1yws s THR 22 Ca 0.14 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1yws s THR 22 Cb -0.12 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.67 1yws s THR 22 CO 0.04 -0.53 0.02 -0.47 -0.54 0.00 0.00 174.62 173.14 1yws s TYR 23 N -3.43 0.54 -0.12 3.99 5.04 -0.91 -0.31 117.35 122.16 1yws s TYR 23 Ca 0.23 -0.14 -0.34 0.00 -2.44 0.00 0.00 57.07 54.37 1yws s TYR 23 Cb 0.04 -0.75 -0.11 0.00 0.35 0.00 0.00 41.96 41.50 1yws s TYR 23 CO 0.04 -0.33 1.94 -2.30 -1.34 0.00 0.00 175.55 173.55 1yws n PRO 24 N 5.18 2.08 -4.05 4.97 -0.02 -1.26 -1.42 135.00 140.49 1yws n PRO 24 Ca -0.06 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1yws n PRO 24 Cb 0.50 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 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 -0.16 4.00 0.00 0.00 0.04 -1.26 -4.51 135.00 133.11 1yws s PRO 26 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1yws s PRO 26 Cb -0.02 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1yws s PRO 26 CO -0.00 -0.46 0.00 0.00 0.04 0.00 0.00 177.00 176.58 1yws n GLY 28 N 0.00 0.31 3.33 0.00 0.00 -1.26 -4.84 105.19 102.74 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 0.85 0.15 1.61 -1.08 -1.26 -5.06 116.67 111.89 1yws s ASP 29 Ca 0.00 -1.50 0.07 0.00 -0.52 0.00 0.00 52.55 50.60 1yws s ASP 29 Cb 0.00 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1yws s ASP 29 CO 0.00 -1.05 -0.02 0.00 0.52 0.00 0.00 175.17 174.61 1yws s ARG 30 N -3.64 2.35 0.24 4.34 1.04 -1.26 -4.33 118.95 117.69 1yws s ARG 30 Ca 0.36 -1.08 -0.31 0.00 -1.04 0.00 0.00 55.73 53.67 1yws s ARG 30 Cb 0.03 -2.35 -0.14 0.00 -2.04 0.00 0.00 34.95 30.45 1yws s ARG 30 CO 0.19 0.47 1.27 1.19 -0.04 0.00 0.00 175.30 178.38 1yws n PHE 31 N 0.10 1.81 -4.32 5.89 3.01 -0.51 -4.38 117.46 119.06 1yws n PHE 31 Ca -0.10 0.55 -0.19 0.00 1.01 0.00 0.00 57.45 58.72 1yws n PHE 31 Cb 0.54 -2.37 -0.15 0.00 -0.01 0.00 0.00 39.48 37.49 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 -0.75 0.80 -0.12 -1.08 -2.07 -0.87 -2.13 119.66 113.44 1yws s GLN 32 Ca 0.66 -0.26 -0.15 0.00 -1.82 0.00 0.00 55.36 53.79 1yws s GLN 32 Cb -0.70 -0.77 0.04 0.00 -1.09 0.00 0.00 33.01 30.49 1yws s GLN 32 CO 0.53 0.11 0.41 -1.50 -1.32 0.00 0.00 175.29 173.52 1yws s ILE 33 N 0.14 0.01 0.03 3.63 2.07 -1.08 -1.70 121.20 124.30 1yws s ILE 33 Ca -0.02 -0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 1yws s ILE 33 Cb -0.07 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 1yws s ILE 33 CO 0.00 -0.05 0.22 -0.31 -1.91 0.00 0.00 174.94 172.89 1yws s TYR 34 N -0.16 3.54 0.16 3.50 2.02 -1.26 -3.14 117.35 122.01 1yws s TYR 34 Ca -0.03 0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 1yws s TYR 34 Cb -0.03 -1.84 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 1yws s TYR 34 CO 0.02 0.60 1.64 1.25 -1.57 0.00 0.00 175.55 177.50 1yws h LEU 35 N 3.47 0.91 -1.34 -1.29 7.12 -1.98 -2.56 115.31 119.64 1yws h LEU 35 Ca -0.47 -0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.21 1yws h LEU 35 Cb 1.18 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1yws h LEU 35 CO 0.72 0.96 -0.18 -0.78 -0.13 0.00 0.00 178.44 179.02 1yws h ASP 36 N 0.83 0.22 -0.26 1.25 3.58 -1.95 0.20 116.42 120.29 1yws h ASP 36 Ca 0.17 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1yws h ASP 36 Cb 0.45 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1yws h ASP 36 CO 0.02 0.41 -0.18 0.44 -2.88 0.00 0.00 179.24 177.05 1yws h ASP 37 N 0.21 0.61 -0.64 2.28 5.19 -1.84 -3.07 116.42 119.16 1yws h ASP 37 Ca 0.04 -0.44 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 1yws h ASP 37 Cb 0.44 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1yws h ASP 37 CO 0.03 0.92 0.32 0.24 -3.12 0.00 0.00 179.24 177.63 1yws h MET 38 N 0.30 0.92 0.00 3.56 2.86 -0.94 -2.31 114.93 119.33 1yws h MET 38 Ca 0.05 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1yws h MET 38 Cb 0.71 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1yws h MET 38 CO 0.05 0.73 0.00 0.35 1.06 0.00 0.00 176.91 179.09 1yws h PHE 39 N 0.89 0.00 0.00 -0.22 3.57 -0.98 -0.78 116.94 119.41 1yws h PHE 39 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1yws h PHE 39 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1yws h PHE 39 CO -0.00 0.00 -0.12 0.39 -2.23 0.00 0.00 178.31 176.35 1yws n GLU 40 N -2.54 0.14 0.00 1.11 -0.58 -0.87 -4.90 120.64 113.00 1yws n GLU 40 Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1yws n GLU 40 Cb 0.17 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 1.40 0.62 3.36 0.62 0.00 -0.30 -5.06 105.19 105.84 1yws n GLY 41 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.64 2.85 -0.33 1.61 2.12 -1.22 -5.05 118.70 118.04 1yws s GLU 42 Ca 0.00 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.30 1yws s GLU 42 Cb 0.00 -3.63 0.09 0.00 0.26 0.00 0.00 34.13 30.85 1yws s GLU 42 CO 0.00 -0.65 0.03 -1.59 -0.54 0.00 0.00 175.26 172.51 1yws s LYS 43 N 1.52 1.78 -0.29 4.30 0.00 -1.26 -3.43 119.74 122.36 1yws s LYS 43 Ca 0.02 -1.71 -0.14 0.00 0.00 0.00 0.00 55.97 54.13 1yws s LYS 43 Cb -0.19 -3.19 0.11 0.00 0.00 0.00 0.00 37.83 34.57 1yws s LYS 43 CO 0.06 -0.85 0.75 0.54 0.00 0.00 0.00 175.35 175.84 1yws s VAL 44 N 1.00 -0.33 -0.14 1.79 0.11 -1.26 -2.62 120.40 118.95 1yws s VAL 44 Ca 0.05 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1yws s VAL 44 Cb -0.20 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1yws s VAL 44 CO -0.06 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.85 1yws s ALA 45 N 2.03 3.82 -0.18 1.54 0.00 0.71 -4.80 121.76 124.87 1yws s ALA 45 Ca -0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1yws s ALA 45 Cb -0.07 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 1yws s ALA 45 CO -0.19 0.49 -0.11 0.08 0.00 0.00 0.00 175.76 176.03 1yws s VAL 46 N -0.64 2.94 -0.22 0.00 1.01 -0.69 -1.41 120.40 121.40 1yws s VAL 46 Ca 0.13 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1yws s VAL 46 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1yws s VAL 46 CO 0.03 0.48 0.57 0.00 0.00 0.00 0.00 175.10 176.18 1yws s PRO 48 N 2.02 3.21 0.00 0.00 0.04 -1.26 -0.62 135.00 138.39 1yws s PRO 48 Ca 0.25 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1yws s PRO 48 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1yws s PRO 48 CO 0.09 -0.89 0.00 0.45 0.04 0.00 0.00 177.00 176.69 1yws n SER 49 N -2.36 0.00 0.03 6.66 2.88 -1.26 -4.06 113.62 115.52 1yws n SER 49 Ca 0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.62 1yws n SER 49 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 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 -2.93 -2.58 -4.74 0.00 7.64 0.21 -5.02 113.62 106.20 1yws n SER 51 Ca -0.09 -0.38 -0.35 0.00 1.01 0.00 0.00 58.87 59.05 1yws n SER 51 Cb 0.85 -3.41 -0.08 0.00 -1.01 0.00 0.00 64.21 60.55 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 -4.80 4.00 -0.06 -3.43 0.20 -1.01 -4.88 118.68 108.70 1yws s LEU 52 Ca 0.08 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.18 1yws s LEU 52 Cb -0.03 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1yws s LEU 52 CO 0.46 0.29 -0.20 -0.04 -0.29 0.00 0.00 176.35 176.58 1yws s MET 53 N -0.34 2.56 -0.01 1.98 -1.94 -1.26 -0.24 119.30 120.05 1yws s MET 53 Ca 0.10 -0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1yws s MET 53 Cb -0.12 -2.28 -0.00 0.00 2.01 0.00 0.00 34.83 34.44 1yws s MET 53 CO 0.01 0.48 0.07 0.96 -0.01 0.00 0.00 175.02 176.54 1yws s ILE 54 N -0.38 0.06 0.46 2.53 -5.25 -0.50 -4.14 121.20 113.99 1yws s ILE 54 Ca 0.03 -0.48 -0.20 0.00 -0.99 0.00 0.00 60.65 59.01 1yws s ILE 54 Cb -0.12 -0.27 -0.10 0.00 2.95 0.00 0.00 42.46 44.92 1yws s ILE 54 CO 0.02 -0.27 0.97 -1.81 -1.79 0.00 0.00 174.94 172.07 1yws s ASP 55 N -0.85 6.75 -0.21 4.36 1.01 0.25 -0.21 116.67 127.77 1yws s ASP 55 Ca -0.09 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 1yws s ASP 55 Cb -0.06 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1yws s ASP 55 CO 0.00 -0.50 0.01 0.54 0.21 0.00 0.00 175.17 175.44 1yws s VAL 56 N -2.28 0.83 -0.24 -1.27 0.11 -1.08 -1.43 120.40 115.04 1yws s VAL 56 Ca 0.62 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1yws s VAL 56 Cb -0.10 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1yws s VAL 56 CO 0.19 -0.19 1.86 -0.69 -3.33 0.00 0.00 175.10 172.94 1yws s VAL 57 N 1.72 3.39 0.26 2.04 1.01 0.16 -4.71 120.40 124.26 1yws s VAL 57 Ca -0.02 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1yws s VAL 57 Cb -0.18 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1yws s VAL 57 CO -0.08 -0.24 0.14 0.72 0.00 0.00 0.00 175.10 175.63 1yws s PHE 58 N 6.48 2.98 0.06 5.22 -0.71 -1.26 -0.41 117.98 130.34 1yws s PHE 58 Ca 0.83 -0.15 0.08 0.00 -1.04 0.00 0.00 56.93 56.65 1yws s PHE 58 Cb -0.27 -1.34 -0.03 0.00 -1.21 0.00 0.00 43.02 40.16 1yws s PHE 58 CO 0.33 0.55 -0.20 0.34 -1.34 0.00 0.00 175.22 174.90 1yws s ASP 59 N -3.79 3.69 0.28 1.98 2.15 -1.26 -5.02 116.67 114.70 1yws s ASP 59 Ca 0.33 -0.49 -0.02 0.00 0.43 0.00 0.00 52.55 52.79 1yws s ASP 59 Cb -0.07 -0.53 0.40 0.00 -0.30 0.00 0.00 42.92 42.42 1yws s ASP 59 CO 0.23 0.24 1.87 0.11 -0.17 0.00 0.00 175.17 177.45 1yws h LYS 60 N 4.40 0.95 0.00 4.34 6.56 -2.00 -0.61 116.57 130.20 1yws h LYS 60 Ca -0.48 -0.14 -0.16 0.00 -1.06 0.00 0.00 60.65 58.81 1yws h LYS 60 Cb 1.16 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.62 1yws h LYS 60 CO 0.46 0.75 -1.01 0.93 -2.06 0.00 0.00 179.45 178.53 1yws h GLU 61 N 0.94 0.00 -0.11 3.15 5.08 -1.99 -2.85 114.58 118.80 1yws h GLU 61 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1yws h GLU 61 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1yws h GLU 61 CO -0.02 0.51 0.01 -0.44 -1.00 0.00 0.00 179.01 178.07 1yws h ASP 62 N 0.00 0.17 -0.30 1.42 5.19 -1.89 -1.82 116.42 119.20 1yws h ASP 62 Ca -0.08 -0.28 0.05 0.00 -0.62 0.00 0.00 57.03 56.10 1yws h ASP 62 Cb 1.58 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.99 1yws h ASP 62 CO 0.07 0.41 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.51 1yws h LEU 63 N -0.07 -0.15 -1.15 1.55 3.38 -1.13 0.35 115.31 118.09 1yws h LEU 63 Ca 0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1yws h LEU 63 Cb 0.31 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1yws h LEU 63 CO 0.00 -0.04 0.28 0.00 0.09 0.00 0.00 178.44 178.77 1yws h ALA 64 N 1.26 1.34 0.16 1.53 0.00 -1.50 0.10 119.26 122.15 1yws h ALA 64 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1yws h ALA 64 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1yws h ALA 64 CO -0.25 0.51 -0.08 1.49 0.00 0.00 0.00 179.25 180.92 1yws h GLU 65 N 0.87 -0.20 -0.37 0.00 4.81 -0.45 -2.49 114.58 116.75 1yws h GLU 65 Ca 0.21 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1yws h GLU 65 Cb 0.11 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1yws h GLU 65 CO -0.03 0.19 0.00 1.88 -0.73 0.00 0.00 179.01 180.33 1yws h TYR 66 N -0.67 0.60 -0.54 0.92 0.05 -0.88 -1.84 116.97 114.61 1yws h TYR 66 Ca -0.02 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 58.78 1yws h TYR 66 Cb 0.49 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 37.99 1yws h TYR 66 CO 0.06 0.58 0.15 -0.92 -1.05 0.00 0.00 178.16 176.98 1yws h TYR 67 N 0.55 0.26 -0.34 4.88 3.20 -0.76 0.49 116.97 125.25 1yws h TYR 67 Ca 0.12 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 1yws h TYR 67 Cb 0.34 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1yws h TYR 67 CO 0.01 0.04 -0.27 1.49 -1.64 0.00 0.00 178.16 177.80 1yws h GLU 68 N 0.31 0.79 -0.53 1.82 4.81 -0.93 0.14 114.58 120.99 1yws h GLU 68 Ca 0.27 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1yws h GLU 68 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1yws h GLU 68 CO -0.31 1.02 0.33 0.93 -0.73 0.00 0.00 179.01 180.25 1yws h GLU 69 N 0.56 0.66 0.00 1.92 4.39 -0.97 -2.96 114.58 118.18 1yws h GLU 69 Ca 0.06 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1yws h GLU 69 Cb 0.84 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1yws h GLU 69 CO 0.07 0.43 -0.87 0.00 -1.16 0.00 0.00 179.01 177.49 1yws h ALA 70 N 1.21 0.55 -3.05 3.43 0.00 -0.84 -3.48 119.26 117.09 1yws h ALA 70 Ca 0.20 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1yws h ALA 70 Cb -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yws h ALA 70 CO -0.07 0.96 -0.07 0.41 0.00 0.00 0.00 179.25 180.48 1yws n GLY 71 N 1.31 0.67 3.96 0.00 0.00 0.46 -4.77 105.19 106.83 1yws n GLY 71 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.03 3.33 0.21 -0.61 1.01 -0.99 -5.03 121.20 116.08 1yws s ILE 72 Ca 0.03 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.77 1yws s ILE 72 Cb -0.00 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 1yws s ILE 72 CO 0.06 -0.17 1.55 1.57 0.00 0.00 0.00 174.94 177.96 1yws n HIS 73 N -2.21 2.37 -1.64 3.97 -0.00 -1.26 -4.86 115.22 111.60 1yws n HIS 73 Ca 0.05 0.29 -0.47 0.00 -0.00 0.00 0.00 57.72 57.59 1yws n HIS 73 Cb 0.59 -2.54 -0.04 0.00 -0.00 0.00 0.00 29.99 27.99 1yws n HIS 73 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1yws n PRO 74 N 2.93 2.15 -2.35 1.57 -0.04 -1.26 -5.00 135.00 133.00 1yws n PRO 74 Ca 0.14 0.74 -0.25 0.00 -0.04 0.00 0.00 63.50 64.10 1yws n PRO 74 Cb 0.31 -2.80 0.05 0.00 -0.04 0.00 0.00 33.50 31.02 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 4.82 2.42 0.13 0.54 0.05 -1.26 -5.04 135.00 136.66 1yws s PRO 75 Ca 0.96 -0.32 -0.31 0.00 0.05 0.00 0.00 61.00 61.37 1yws s PRO 75 Cb -0.60 -2.26 -0.08 0.00 0.05 0.00 0.00 34.50 31.61 1yws s PRO 75 CO 0.47 -1.01 1.33 -1.21 0.05 0.00 0.00 177.00 176.63 1yws s GLU 76 N -5.08 4.36 0.42 4.56 2.02 -1.26 -4.94 118.70 118.78 1yws s GLU 76 Ca 0.58 2.02 -0.26 0.00 0.02 0.00 0.00 54.97 57.32 1yws s GLU 76 Cb -0.11 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 1yws s GLU 76 CO 0.43 -0.35 1.47 -2.14 0.02 0.00 0.00 175.26 174.69 1yws s PRO 77 N 0.71 3.84 0.24 0.39 0.02 -1.26 -5.00 135.00 133.94 1yws s PRO 77 Ca 0.61 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 64.05 1yws s PRO 77 Cb -0.35 -2.78 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 1yws s PRO 77 CO 0.32 -0.73 0.56 0.96 -0.33 0.00 0.00 177.00 177.79 1yws s ILE 78 N -1.16 4.92 -0.75 2.83 -4.36 -1.26 -5.04 121.20 116.37 1yws s ILE 78 Ca 0.58 0.49 -0.11 0.00 -0.26 0.00 0.00 60.65 61.35 1yws s ILE 78 Cb -0.46 -3.62 0.20 0.00 1.25 0.00 0.00 42.46 39.83 1yws s ILE 78 CO 0.60 -0.08 0.66 0.00 0.24 0.00 0.00 174.94 176.36 1yws s ALA 79 N -1.83 3.92 -0.81 2.27 0.00 -1.26 -4.86 121.76 119.19 1yws s ALA 79 Ca 0.48 -3.26 0.27 0.00 0.00 0.00 0.00 51.96 49.44 1yws s ALA 79 Cb -0.11 -3.26 0.85 0.00 0.00 0.00 0.00 23.12 20.60 1yws s ALA 79 CO 0.21 -2.21 1.74 0.00 0.00 0.00 0.00 175.76 175.50 1yws n ALA 80 N 3.91 2.44 -2.26 0.00 0.00 -1.26 -4.57 120.51 118.77 1yws n ALA 80 Ca 0.11 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1yws n ALA 80 Cb 0.44 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 1yws n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws s ALA 81 N -3.08 2.15 0.00 0.00 0.00 -1.26 -5.22 121.76 114.34 1yws s ALA 81 Ca 0.11 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1yws s ALA 81 Cb 0.14 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1yws s ALA 81 CO 0.60 -4.21 0.00 0.00 0.00 0.00 0.00 175.76 172.15