#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 1.16 -0.83 6.12 0.01 -1.26 -5.07 113.70 113.83 1yws s SER 2 Ca 0.00 -1.58 -0.25 0.00 1.31 0.00 0.00 55.95 55.43 1yws s SER 2 Cb 0.00 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 66.89 1yws s SER 2 CO 0.00 -1.30 1.71 0.42 0.41 0.00 0.00 173.24 174.48 1yws s THR 3 N -2.96 3.57 -0.34 1.44 -4.23 -1.26 -4.62 115.64 107.25 1yws s THR 3 Ca 0.32 -0.19 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1yws s THR 3 Cb -0.00 -4.37 -0.13 0.00 1.34 0.00 0.00 72.50 69.34 1yws s THR 3 CO 0.23 -1.30 0.37 -1.22 -0.54 0.00 0.00 174.62 172.16 1yws n TYR 4 N 11.82 0.00 -3.56 3.99 4.01 -1.26 -4.79 117.16 127.37 1yws n TYR 4 Ca 0.28 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.65 1yws n TYR 4 Cb 0.49 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.38 6.30 -0.25 7.72 1.01 -1.26 -5.00 116.67 122.80 1yws s ASP 5 Ca 0.01 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.63 1yws s ASP 5 Cb 0.08 -2.16 0.07 0.00 1.01 0.00 0.00 42.92 41.91 1yws s ASP 5 CO 0.43 0.05 -0.05 -0.70 0.21 0.00 0.00 175.17 175.11 1yws s GLU 6 N 0.89 1.67 0.11 8.23 2.12 -1.26 -0.31 118.70 130.15 1yws s GLU 6 Ca 0.13 -1.14 0.07 0.00 0.36 0.00 0.00 54.97 54.39 1yws s GLU 6 Cb -0.13 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1yws s GLU 6 CO 0.04 -0.64 -0.07 0.42 -0.54 0.00 0.00 175.26 174.47 1yws s ILE 7 N 1.31 3.54 0.42 -3.70 1.09 -0.33 -4.94 121.20 118.59 1yws s ILE 7 Ca -0.04 -1.22 -0.24 0.00 -1.10 0.00 0.00 60.65 58.05 1yws s ILE 7 Cb -0.19 -2.67 -0.08 0.00 -1.06 0.00 0.00 42.46 38.46 1yws s ILE 7 CO -0.07 0.10 1.14 -1.61 -0.10 0.00 0.00 174.94 174.39 1yws s GLU 8 N -2.28 3.98 0.51 2.79 0.41 -1.26 -0.27 118.70 122.58 1yws s GLU 8 Ca 0.23 1.74 0.22 0.00 -0.41 0.00 0.00 54.97 56.74 1yws s GLU 8 Cb -0.11 -2.55 1.36 0.00 -1.78 0.00 0.00 34.13 31.05 1yws s GLU 8 CO 0.15 -0.35 2.11 0.97 -0.49 0.00 0.00 175.26 177.64 1yws h ILE 9 N 2.14 0.82 -0.30 -1.63 2.10 -1.33 -0.26 117.51 119.05 1yws h ILE 9 Ca -0.49 -0.34 0.09 0.00 1.08 0.00 0.00 64.86 65.20 1yws h ILE 9 Cb 1.23 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.15 1yws h ILE 9 CO 0.62 0.09 0.23 -0.08 -1.08 0.00 0.00 178.15 177.92 1yws h GLU 10 N 0.00 0.00 0.06 2.19 4.57 -1.91 -3.12 114.58 116.37 1yws h GLU 10 Ca -0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.80 1yws h GLU 10 Cb 0.19 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1yws h GLU 10 CO 0.01 0.00 -2.19 -3.47 -1.18 0.00 0.00 179.01 172.18 1yws n ASP 11 N -4.36 2.04 -4.75 1.04 2.03 -0.16 -4.92 116.55 107.47 1yws n ASP 11 Ca 0.04 0.08 -0.39 0.00 0.52 0.00 0.00 54.79 55.05 1yws n ASP 11 Cb 0.39 -0.67 0.04 0.00 -0.72 0.00 0.00 41.12 40.15 1yws n ASP 11 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1yws s MET 12 N -2.53 3.26 -0.19 -0.67 -1.94 -0.88 -4.96 119.30 111.39 1yws s MET 12 Ca -0.29 2.27 -0.20 0.00 -1.71 0.00 0.00 55.69 55.76 1yws s MET 12 Cb 0.08 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 1yws s MET 12 CO 0.67 -1.10 0.59 0.99 -0.01 0.00 0.00 175.02 176.16 1yws s THR 13 N -1.29 5.05 0.19 2.05 2.01 -0.10 -4.90 115.64 118.65 1yws s THR 13 Ca 0.69 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 63.51 1yws s THR 13 Cb -0.41 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 1yws s THR 13 CO 0.49 0.14 1.14 0.72 -0.69 0.00 0.00 174.62 176.42 1yws s PHE 14 N 1.76 3.52 -0.58 4.92 -0.71 -1.26 0.11 117.98 125.74 1yws s PHE 14 Ca 0.27 1.53 0.03 0.00 -1.04 0.00 0.00 56.93 57.72 1yws s PHE 14 Cb -0.16 -3.34 0.14 0.00 -1.21 0.00 0.00 43.02 38.46 1yws s PHE 14 CO 0.10 -0.85 0.34 -2.00 -1.34 0.00 0.00 175.22 171.47 1yws s GLU 15 N -0.38 2.20 0.34 1.99 2.56 0.14 -4.85 118.70 120.70 1yws s GLU 15 Ca 0.50 -2.74 0.26 0.00 0.00 0.00 0.00 54.97 53.00 1yws s GLU 15 Cb -0.31 -3.43 1.16 0.00 2.00 0.00 0.00 34.13 33.55 1yws s GLU 15 CO 0.36 -1.15 1.79 -1.00 -0.56 0.00 0.00 175.26 174.70 1yws h PRO 16 N 6.42 0.00 0.00 4.30 0.13 -1.95 -2.03 132.00 138.87 1yws h PRO 16 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1yws h PRO 16 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1yws h PRO 16 CO 0.70 0.00 -0.44 0.93 -0.23 0.00 0.00 178.00 178.97 1yws h GLU 17 N 0.00 0.00 -0.04 0.86 5.08 -1.92 -3.10 114.58 115.46 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1yws h GLU 17 CO 0.00 0.44 0.00 -1.71 -1.00 0.00 0.00 179.01 176.74 1yws n ASN 18 N -3.98 1.78 -3.57 1.42 4.05 -1.01 -4.99 115.26 108.97 1yws n ASN 18 Ca -0.02 -1.66 -0.22 0.00 0.45 0.00 0.00 54.58 53.14 1yws n ASN 18 Cb 0.47 -0.02 0.08 0.00 1.23 0.00 0.00 39.78 41.53 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 -0.17 -7.33 -4.13 1.20 3.00 -0.89 -4.99 117.38 104.07 1yws n GLN 19 Ca 0.02 0.82 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1yws n GLN 19 Cb 0.19 -5.84 -0.07 0.00 0.00 0.00 0.00 30.24 24.53 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 -6.02 1.62 -0.04 -1.09 0.23 -0.82 -3.67 119.30 109.52 1yws s MET 20 Ca 0.39 -1.65 0.01 0.00 -1.03 0.00 0.00 55.69 53.40 1yws s MET 20 Cb -0.17 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 1yws s MET 20 CO 0.74 -0.63 -0.01 -0.06 -2.03 0.00 0.00 175.02 173.02 1yws s PHE 21 N -3.62 3.07 0.18 3.16 0.40 0.38 0.23 117.98 121.79 1yws s PHE 21 Ca 0.32 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1yws s PHE 21 Cb 0.02 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1yws s PHE 21 CO 0.17 0.44 0.07 0.95 0.70 0.00 0.00 175.22 177.54 1yws s THR 22 N -0.98 0.34 -0.12 0.64 -4.23 0.12 -0.98 115.64 110.42 1yws s THR 22 Ca 0.16 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1yws s THR 22 Cb -0.11 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1yws s THR 22 CO 0.06 -0.27 0.25 -0.47 -0.54 0.00 0.00 174.62 173.66 1yws s TYR 23 N -3.90 -0.38 -0.27 3.99 5.04 -0.68 -0.93 117.35 120.22 1yws s TYR 23 Ca 0.30 0.89 -0.33 0.00 -2.44 0.00 0.00 57.07 55.49 1yws s TYR 23 Cb 0.07 -0.01 -0.10 0.00 0.35 0.00 0.00 41.96 42.28 1yws s TYR 23 CO 0.07 -0.30 2.14 -2.30 -1.34 0.00 0.00 175.55 173.82 1yws n PRO 24 N 4.90 1.47 -5.19 4.97 -0.02 -1.26 -0.90 135.00 138.97 1yws n PRO 24 Ca -0.14 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 1yws n PRO 24 Cb 0.51 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 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 -0.44 3.90 0.00 0.00 0.04 -1.26 -4.37 135.00 132.87 1yws s PRO 26 Ca 0.05 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1yws s PRO 26 Cb -0.12 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1yws s PRO 26 CO 0.01 -0.64 0.00 0.00 0.04 0.00 0.00 177.00 176.41 1yws n GLY 28 N 0.00 0.25 3.33 0.00 0.00 -1.26 -4.93 105.19 102.57 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 1.01 0.17 1.61 -1.08 -1.26 -5.10 116.67 112.02 1yws s ASP 29 Ca 0.00 -1.56 0.08 0.00 -0.52 0.00 0.00 52.55 50.56 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 -1.06 -0.08 0.00 0.52 0.00 0.00 175.17 174.55 1yws s ARG 30 N -3.58 2.12 0.24 4.34 1.70 -1.26 -3.88 118.95 118.63 1yws s ARG 30 Ca 0.37 -1.20 -0.31 0.00 -0.47 0.00 0.00 55.73 54.12 1yws s ARG 30 Cb 0.03 -2.21 -0.13 0.00 -0.57 0.00 0.00 34.95 32.06 1yws s ARG 30 CO 0.21 0.45 1.46 1.19 -1.08 0.00 0.00 175.30 177.53 1yws n PHE 31 N 0.14 2.30 -4.53 5.89 3.72 -0.08 -4.55 117.46 120.36 1yws n PHE 31 Ca -0.11 0.38 -0.23 0.00 -0.05 0.00 0.00 57.45 57.44 1yws n PHE 31 Cb 0.55 -2.50 -0.16 0.00 -0.94 0.00 0.00 39.48 36.43 1yws n PHE 31 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yws s GLN 32 N -0.27 1.44 -0.04 -1.08 -0.21 -0.69 -1.68 119.66 117.12 1yws s GLN 32 Ca 0.69 -0.38 -0.02 0.00 0.02 0.00 0.00 55.36 55.67 1yws s GLN 32 Cb -0.62 -1.24 0.03 0.00 1.00 0.00 0.00 33.01 32.18 1yws s GLN 32 CO 0.48 0.07 0.09 -1.50 -2.12 0.00 0.00 175.29 172.31 1yws s ILE 33 N 0.48 -0.08 0.31 1.08 2.07 -0.15 -1.70 121.20 123.20 1yws s ILE 33 Ca -0.10 0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1yws s ILE 33 Cb -0.13 -0.16 -0.05 0.00 0.13 0.00 0.00 42.46 42.24 1yws s ILE 33 CO 0.02 0.10 0.59 -0.31 -1.91 0.00 0.00 174.94 173.43 1yws s TYR 34 N 1.33 3.47 0.38 3.50 1.51 -1.26 -0.47 117.35 125.81 1yws s TYR 34 Ca -0.07 0.72 0.05 0.00 -1.01 0.00 0.00 57.07 56.76 1yws s TYR 34 Cb -0.12 -2.17 0.74 0.00 -0.11 0.00 0.00 41.96 40.30 1yws s TYR 34 CO -0.04 0.12 2.01 1.25 -1.11 0.00 0.00 175.55 177.78 1yws h LEU 35 N 1.63 0.55 -0.46 -1.29 7.12 -1.95 -2.10 115.31 118.81 1yws h LEU 35 Ca -0.48 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.51 1yws h LEU 35 Cb 1.19 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.15 1yws h LEU 35 CO 0.66 0.44 0.30 -0.78 -0.13 0.00 0.00 178.44 178.92 1yws h ASP 36 N 0.64 0.50 -0.12 1.25 3.58 -1.94 0.23 116.42 120.57 1yws h ASP 36 Ca 0.17 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1yws h ASP 36 Cb 0.00 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1yws h ASP 36 CO -0.03 0.36 -0.09 0.44 -2.88 0.00 0.00 179.24 177.04 1yws h ASP 37 N 0.60 0.41 0.24 2.28 3.32 -1.75 -0.43 116.42 121.08 1yws h ASP 37 Ca 0.17 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 1yws h ASP 37 Cb -0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1yws h ASP 37 CO -0.05 0.54 -0.84 0.24 -1.72 0.00 0.00 179.24 177.41 1yws h MET 38 N 0.40 0.46 0.00 3.56 2.86 -1.06 -2.98 114.93 118.18 1yws h MET 38 Ca 0.08 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 1yws h MET 38 Cb 0.41 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1yws h MET 38 CO 0.02 1.08 -0.24 0.35 1.06 0.00 0.00 176.91 179.18 1yws h PHE 39 N 0.29 0.00 -0.03 -0.22 3.57 0.09 -2.16 116.94 118.48 1yws h PHE 39 Ca -0.06 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1yws h PHE 39 Cb 1.46 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1yws h PHE 39 CO 0.06 0.24 0.06 0.93 -2.23 0.00 0.00 178.31 177.37 1yws h GLU 40 N 0.00 0.00 0.00 1.11 4.39 -0.94 -3.45 114.58 115.69 1yws h GLU 40 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yws h GLU 40 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1yws h GLU 40 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1yws n GLY 41 N -1.24 1.02 3.57 -3.84 0.00 -0.81 -5.10 105.19 98.79 1yws n GLY 41 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.79 2.04 -0.28 1.61 2.56 -1.21 -5.07 118.70 117.55 1yws s GLU 42 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 54.97 53.51 1yws s GLU 42 Cb 0.00 -2.06 0.13 0.00 2.00 0.00 0.00 34.13 34.19 1yws s GLU 42 CO 0.00 0.38 0.25 -1.59 -0.56 0.00 0.00 175.26 173.75 1yws s LYS 43 N -3.28 0.28 -0.29 4.30 0.00 -1.26 -3.77 119.74 115.73 1yws s LYS 43 Ca 0.28 -0.20 -0.17 0.00 0.00 0.00 0.00 55.97 55.88 1yws s LYS 43 Cb -0.07 -0.80 0.13 0.00 0.00 0.00 0.00 37.83 37.08 1yws s LYS 43 CO 0.17 -1.00 0.91 0.54 0.00 0.00 0.00 175.35 175.96 1yws s VAL 44 N 2.30 0.00 -0.18 1.79 0.11 -1.26 -2.79 120.40 120.37 1yws s VAL 44 Ca 0.09 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 1yws s VAL 44 Cb -0.14 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1yws s VAL 44 CO -0.32 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.57 1yws s ALA 45 N 1.26 3.69 -0.09 1.54 0.00 0.73 -4.75 121.76 124.13 1yws s ALA 45 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1yws s ALA 45 Cb -0.04 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1yws s ALA 45 CO -0.15 0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.81 1yws s VAL 46 N 0.03 2.88 -0.17 0.00 1.01 -0.69 -1.56 120.40 121.91 1yws s VAL 46 Ca 0.09 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1yws s VAL 46 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1yws s VAL 46 CO -0.00 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.70 1yws s PRO 48 N 0.23 3.76 0.00 0.00 0.04 -1.26 -1.08 135.00 136.69 1yws s PRO 48 Ca 0.03 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1yws s PRO 48 Cb -0.12 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1yws s PRO 48 CO 0.01 -0.43 0.00 0.43 0.04 0.00 0.00 177.00 177.04 1yws n SER 49 N -2.04 0.00 0.04 6.66 7.64 -1.26 -4.29 113.62 120.37 1yws n SER 49 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.96 1yws n SER 49 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.84 -2.10 -4.50 0.00 2.88 -0.24 -5.03 113.62 101.80 1yws n SER 51 Ca -0.09 -0.47 -0.27 0.00 -1.33 0.00 0.00 58.87 56.72 1yws n SER 51 Cb 0.80 -4.02 -0.10 0.00 -0.75 0.00 0.00 64.21 60.13 1yws n SER 51 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1yws s LEU 52 N -5.33 2.70 -0.01 2.46 1.43 -1.11 -4.90 118.68 113.92 1yws s LEU 52 Ca 0.01 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1yws s LEU 52 Cb -0.00 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1yws s LEU 52 CO 0.56 0.11 -0.06 -0.04 0.23 0.00 0.00 176.35 177.14 1yws s MET 53 N -2.81 0.56 0.03 1.70 -1.94 -1.26 -0.45 119.30 115.12 1yws s MET 53 Ca 0.23 -0.21 -0.01 0.00 -1.71 0.00 0.00 55.69 54.00 1yws s MET 53 Cb -0.08 -0.55 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 1yws s MET 53 CO 0.13 0.11 -0.02 0.96 -0.01 0.00 0.00 175.02 176.19 1yws s ILE 54 N 0.01 0.13 0.17 2.53 -5.25 -0.60 -4.42 121.20 113.78 1yws s ILE 54 Ca 0.00 -1.11 -0.10 0.00 -0.99 0.00 0.00 60.65 58.45 1yws s ILE 54 Cb -0.04 -0.58 -0.07 0.00 2.95 0.00 0.00 42.46 44.72 1yws s ILE 54 CO -0.00 -0.61 0.50 -0.62 -1.79 0.00 0.00 174.94 172.42 1yws s ASP 55 N -1.82 6.66 -0.07 4.36 -1.08 0.58 -0.19 116.67 125.11 1yws s ASP 55 Ca -0.10 0.90 -0.00 0.00 -0.52 0.00 0.00 52.55 52.82 1yws s ASP 55 Cb -0.05 -2.22 0.02 0.00 -1.46 0.00 0.00 42.92 39.21 1yws s ASP 55 CO -0.03 0.03 -0.03 0.54 0.52 0.00 0.00 175.17 176.20 1yws s VAL 56 N -1.63 0.56 -0.36 1.11 0.11 -1.12 -1.18 120.40 117.89 1yws s VAL 56 Ca 0.42 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 59.13 1yws s VAL 56 Cb -0.13 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1yws s VAL 56 CO 0.20 0.27 1.10 -0.69 -3.33 0.00 0.00 175.10 172.66 1yws s VAL 57 N 1.53 4.41 0.33 2.04 1.01 0.63 -4.74 120.40 125.62 1yws s VAL 57 Ca -0.01 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1yws s VAL 57 Cb -0.13 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1yws s VAL 57 CO -0.04 -0.61 -0.08 0.72 0.00 0.00 0.00 175.10 175.09 1yws s PHE 58 N 3.89 2.28 0.28 5.22 -0.71 -1.26 -0.86 117.98 126.82 1yws s PHE 58 Ca 0.47 -0.56 0.11 0.00 -1.04 0.00 0.00 56.93 55.90 1yws s PHE 58 Cb -0.11 -1.32 -0.05 0.00 -1.21 0.00 0.00 43.02 40.33 1yws s PHE 58 CO 0.20 0.49 -0.17 0.34 -1.34 0.00 0.00 175.22 174.75 1yws s ASP 59 N -3.57 3.42 0.23 1.98 2.15 -1.26 -5.03 116.67 114.59 1yws s ASP 59 Ca 0.32 -1.07 -0.07 0.00 0.43 0.00 0.00 52.55 52.16 1yws s ASP 59 Cb 0.03 -0.28 0.20 0.00 -0.30 0.00 0.00 42.92 42.58 1yws s ASP 59 CO 0.15 -0.06 1.85 0.11 -0.17 0.00 0.00 175.17 177.06 1yws h LYS 60 N 2.27 1.25 0.08 4.34 1.57 -2.00 -2.86 116.57 121.21 1yws h LYS 60 Ca -0.40 -0.15 -0.25 0.00 -1.87 0.00 0.00 60.65 57.98 1yws h LYS 60 Cb 1.25 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1yws h LYS 60 CO 0.63 0.92 -1.12 0.93 -0.57 0.00 0.00 179.45 180.24 1yws h GLU 61 N 1.25 0.33 -0.07 3.15 5.08 -1.98 -2.33 114.58 120.01 1yws h GLU 61 Ca 0.31 -0.45 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 1yws h GLU 61 Cb 0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1yws h GLU 61 CO -0.05 1.17 -0.54 0.38 -1.00 0.00 0.00 179.01 178.97 1yws h ASP 62 N 0.14 0.21 -0.10 1.42 3.04 -1.97 0.23 116.42 119.39 1yws h ASP 62 Ca -0.11 -0.11 -0.01 0.00 -3.24 0.00 0.00 57.03 53.56 1yws h ASP 62 Cb 1.80 -0.06 -0.00 0.00 -1.04 0.00 0.00 39.33 40.03 1yws h ASP 62 CO 0.19 0.71 0.04 -0.07 -2.04 0.00 0.00 179.24 178.06 1yws h LEU 63 N 0.15 0.14 -0.92 0.15 3.38 -1.52 -0.35 115.31 116.35 1yws h LEU 63 Ca 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1yws h LEU 63 Cb 1.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1yws h LEU 63 CO 0.08 0.28 0.29 0.00 0.09 0.00 0.00 178.44 179.18 1yws h ALA 64 N 0.87 1.14 -0.07 1.53 0.00 -1.08 0.21 119.26 121.85 1yws h ALA 64 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yws h ALA 64 Cb 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yws h ALA 64 CO -0.00 0.62 -0.00 1.49 0.00 0.00 0.00 179.25 181.35 1yws h GLU 65 N 1.06 0.12 -0.55 0.00 4.81 -0.48 -2.60 114.58 116.94 1yws h GLU 65 Ca 0.25 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1yws h GLU 65 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1yws h GLU 65 CO -0.02 0.41 0.21 -0.92 -0.73 0.00 0.00 179.01 177.95 1yws h TYR 66 N -0.18 0.80 -0.88 0.92 3.20 -0.86 -1.10 116.97 118.88 1yws h TYR 66 Ca 0.02 -0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.00 1yws h TYR 66 Cb 0.36 -0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.28 1yws h TYR 66 CO 0.04 0.63 0.46 -0.92 -1.64 0.00 0.00 178.16 176.73 1yws h TYR 67 N 0.79 0.81 -0.02 -3.82 3.20 -0.42 0.14 116.97 117.64 1yws h TYR 67 Ca 0.19 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.85 1yws h TYR 67 Cb 0.17 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.23 1yws h TYR 67 CO 0.01 0.19 -0.94 1.49 -1.64 0.00 0.00 178.16 177.27 1yws h GLU 68 N 0.65 0.57 0.44 1.82 4.81 -0.93 -0.14 114.58 121.78 1yws h GLU 68 Ca 0.48 -0.58 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1yws h GLU 68 Cb 0.70 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1yws h GLU 68 CO -0.37 1.20 -0.21 0.93 -0.73 0.00 0.00 179.01 179.83 1yws h GLU 69 N 0.33 -0.56 0.00 1.92 4.39 -0.23 -3.14 114.58 117.28 1yws h GLU 69 Ca -0.09 0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1yws h GLU 69 Cb 1.58 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.35 1yws h GLU 69 CO 0.18 -0.37 -0.28 0.00 -1.16 0.00 0.00 179.01 177.38 1yws h ALA 70 N -0.04 0.84 -2.88 3.43 0.00 -0.86 -3.48 119.26 116.27 1yws h ALA 70 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1yws h ALA 70 Cb 0.46 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.24 1yws h ALA 70 CO 0.10 0.34 -0.16 0.41 0.00 0.00 0.00 179.25 179.94 1yws n GLY 71 N 1.04 0.32 3.84 0.00 0.00 -0.19 -4.97 105.19 105.24 1yws n GLY 71 Ca 0.03 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.07 4.42 0.17 -0.61 1.01 -0.49 -4.97 121.20 117.65 1yws s ILE 72 Ca 0.02 1.00 -0.34 0.00 0.00 0.00 0.00 60.65 61.33 1yws s ILE 72 Cb -0.00 -3.68 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1yws s ILE 72 CO 0.15 -0.82 1.46 1.57 0.00 0.00 0.00 174.94 177.30 1yws n HIS 73 N -2.17 2.04 -1.65 3.97 -0.00 -1.26 -4.82 115.22 111.33 1yws n HIS 73 Ca 0.07 0.41 -0.52 0.00 -0.00 0.00 0.00 57.72 57.67 1yws n HIS 73 Cb 0.54 -2.46 -0.06 0.00 -0.00 0.00 0.00 29.99 28.00 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 2.75 1.58 -2.78 1.57 -0.04 -1.26 -4.99 135.00 131.83 1yws n PRO 74 Ca 0.16 0.56 -0.24 0.00 -0.04 0.00 0.00 63.50 63.93 1yws n PRO 74 Cb 0.28 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.35 3.02 0.13 0.54 0.05 -1.26 -5.06 135.00 136.76 1yws s PRO 75 Ca 0.98 -0.33 -0.30 0.00 0.05 0.00 0.00 61.00 61.40 1yws s PRO 75 Cb -0.86 -2.46 -0.07 0.00 0.05 0.00 0.00 34.50 31.16 1yws s PRO 75 CO 0.56 -0.41 1.22 -2.00 0.05 0.00 0.00 177.00 176.42 1yws s GLU 76 N -4.70 4.45 0.33 4.56 2.56 -1.26 -4.95 118.70 119.70 1yws s GLU 76 Ca 0.50 1.85 -0.25 0.00 0.00 0.00 0.00 54.97 57.07 1yws s GLU 76 Cb -0.10 -3.29 -0.14 0.00 2.00 0.00 0.00 34.13 32.60 1yws s GLU 76 CO 0.40 -0.19 0.71 -2.30 -0.56 0.00 0.00 175.26 173.32 1yws n PRO 77 N 3.24 0.75 -3.82 4.30 -0.02 -1.26 -5.00 135.00 133.19 1yws n PRO 77 Ca 0.07 0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 1yws n PRO 77 Cb 0.45 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 1yws n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1yws s ILE 78 N -1.23 2.77 -1.43 4.25 -4.36 -1.26 -5.02 121.20 114.93 1yws s ILE 78 Ca 0.62 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 59.37 1yws s ILE 78 Cb -0.70 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.03 1yws s ILE 78 CO 0.58 -0.06 2.17 0.00 0.24 0.00 0.00 174.94 177.87 1yws n ALA 79 N -1.38 5.27 -3.79 2.27 0.00 -1.26 -4.77 120.51 116.84 1yws n ALA 79 Ca 0.01 -3.86 -0.28 0.00 0.00 0.00 0.00 53.44 49.30 1yws n ALA 79 Cb 0.62 -3.55 -0.16 0.00 0.00 0.00 0.00 19.45 16.36 1yws n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yws s ALA 80 N 3.37 1.26 -1.75 0.00 0.00 -1.26 -4.78 121.76 118.60 1yws s ALA 80 Ca 0.48 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1yws s ALA 80 Cb 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1yws s ALA 80 CO -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 175.76 174.53 1yws n ALA 81 N 4.95 -0.30 0.51 0.00 0.00 -1.26 -5.14 120.51 119.26 1yws n ALA 81 Ca -0.10 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1yws n ALA 81 Cb 0.46 -1.80 0.05 0.00 0.00 0.00 0.00 19.45 18.17 1yws n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50