#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws5 s LYS 2 N 0.00 4.09 0.59 1.61 2.20 0.08 -4.75 119.74 123.56 1ws5 s LYS 2 Ca 0.00 0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 1ws5 s LYS 2 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1ws5 s LYS 2 CO 0.00 -0.28 1.06 0.00 -0.36 0.00 0.00 175.35 175.77 1ws5 s ALA 3 N 2.09 2.73 0.06 3.13 0.00 -1.26 -1.49 121.76 127.02 1ws5 s ALA 3 Ca 0.21 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1ws5 s ALA 3 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ws5 s ALA 3 CO 0.09 -0.81 0.19 -0.59 0.00 0.00 0.00 175.76 174.65 1ws5 s PHE 4 N -2.38 0.10 -0.28 0.00 -0.71 0.32 -4.93 117.98 110.10 1ws5 s PHE 4 Ca 0.65 -0.41 0.01 0.00 -1.04 0.00 0.00 56.93 56.13 1ws5 s PHE 4 Cb -0.17 -0.04 0.16 0.00 -1.21 0.00 0.00 43.02 41.76 1ws5 s PHE 4 CO 0.35 -0.48 0.43 0.34 -1.34 0.00 0.00 175.22 174.52 1ws5 s ASP 5 N -2.43 0.07 0.31 1.98 3.68 -1.26 -1.02 116.67 117.99 1ws5 s ASP 5 Ca -0.01 -0.05 0.14 0.00 2.13 0.00 0.00 52.55 54.76 1ws5 s ASP 5 Cb 0.02 1.25 0.47 0.00 -1.45 0.00 0.00 42.92 43.21 1ws5 s ASP 5 CO -0.07 -0.33 1.65 0.44 0.13 0.00 0.00 175.17 177.00 1ws5 h ASP 6 N 8.14 0.00 -2.90 -0.34 3.32 -1.61 -3.49 116.42 119.55 1ws5 h ASP 6 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1ws5 h ASP 6 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ws5 h ASP 6 CO 0.26 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.92 1ws5 n GLY 7 N 0.27 -1.80 3.69 2.75 0.00 -1.25 -4.96 105.19 103.88 1ws5 n GLY 7 Ca -0.01 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1ws5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws5 s ALA 8 N -1.69 3.29 0.00 4.61 0.00 -1.26 -3.92 121.76 122.79 1ws5 s ALA 8 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ws5 s ALA 8 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1ws5 s ALA 8 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.59 1ws5 n PHE 9 N 1.48 0.00 0.08 0.00 3.01 0.95 -5.00 117.46 117.99 1ws5 n PHE 9 Ca -0.15 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.35 1ws5 n PHE 9 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1ws5 n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ws5 h THR 10 N 0.48 0.44 0.00 4.37 2.02 -1.44 -3.46 112.91 115.33 1ws5 h THR 10 Ca 0.00 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1ws5 h THR 10 Cb 0.00 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1ws5 h THR 10 CO 0.00 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.75 1ws5 n GLY 11 N 1.30 -1.29 3.17 2.16 0.00 -1.16 -4.93 105.19 104.44 1ws5 n GLY 11 Ca -0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1ws5 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws5 s ILE 12 N -2.93 1.87 -0.20 -0.61 -1.09 -1.26 -1.31 121.20 115.68 1ws5 s ILE 12 Ca 0.00 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1ws5 s ILE 12 Cb 0.00 -1.64 -0.12 0.00 -1.58 0.00 0.00 42.46 39.12 1ws5 s ILE 12 CO 0.00 0.52 -0.18 0.54 -1.23 0.00 0.00 174.94 174.59 1ws5 n ARG 13 N 3.66 0.48 -3.71 2.79 1.74 0.18 -4.79 116.66 117.01 1ws5 n ARG 13 Ca -0.20 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1ws5 n ARG 13 Cb 0.53 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 1ws5 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ws5 s GLU 14 N -2.39 0.65 -0.11 5.56 2.12 -0.51 -1.60 118.70 122.42 1ws5 s GLU 14 Ca -0.27 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1ws5 s GLU 14 Cb 0.07 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.78 1ws5 s GLU 14 CO 0.44 -0.14 -0.16 0.42 -0.54 0.00 0.00 175.26 175.28 1ws5 s ILE 15 N -0.54 1.54 -0.22 -3.70 1.01 -0.30 0.11 121.20 119.10 1ws5 s ILE 15 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1ws5 s ILE 15 Cb -0.03 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 41.06 1ws5 s ILE 15 CO 0.03 0.45 -0.13 0.20 0.00 0.00 0.00 174.94 175.49 1ws5 s ASN 16 N 1.02 3.79 0.11 3.58 0.01 0.58 -0.37 114.94 123.66 1ws5 s ASN 16 Ca -0.06 -0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 51.27 1ws5 s ASN 16 Cb -0.15 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 1ws5 s ASN 16 CO -0.02 -0.07 0.02 -1.48 -1.51 0.00 0.00 177.10 174.04 1ws5 s LEU 17 N 1.28 2.05 0.12 0.60 0.05 -0.84 -0.29 118.68 121.65 1ws5 s LEU 17 Ca 0.01 -1.13 0.06 0.00 0.05 0.00 0.00 54.13 53.12 1ws5 s LEU 17 Cb -0.15 0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 44.19 1ws5 s LEU 17 CO -0.08 -0.67 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.95 1ws5 s SER 18 N -3.01 2.13 0.21 1.48 1.04 -0.78 -0.29 113.70 114.48 1ws5 s SER 18 Ca 0.18 -0.80 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 1ws5 s SER 18 Cb 0.08 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1ws5 s SER 18 CO -0.02 -0.11 0.46 -0.72 0.98 0.00 0.00 173.24 173.83 1ws5 s TYR 19 N -2.00 0.19 -0.14 5.02 1.13 -0.54 -0.65 117.35 120.35 1ws5 s TYR 19 Ca 0.09 -0.55 -0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1ws5 s TYR 19 Cb -0.06 0.22 0.03 0.00 -1.10 0.00 0.00 41.96 41.06 1ws5 s TYR 19 CO 0.04 -0.92 -0.07 1.21 -2.51 0.00 0.00 175.55 173.30 1ws5 s ASN 20 N -2.95 2.50 0.66 -0.18 3.84 -0.81 0.07 114.94 118.07 1ws5 s ASN 20 Ca 0.16 -0.48 0.38 0.00 0.21 0.00 0.00 52.86 53.14 1ws5 s ASN 20 Cb -0.00 -0.88 2.08 0.00 -0.55 0.00 0.00 41.25 41.90 1ws5 s ASN 20 CO 0.03 -0.15 2.17 0.07 -2.79 0.00 0.00 177.10 176.43 1ws5 h LYS 21 N 8.15 0.00 -0.02 0.43 2.10 -1.89 -1.48 116.57 123.86 1ws5 h LYS 21 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1ws5 h LYS 21 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1ws5 h LYS 21 CO 0.41 0.00 -0.12 0.39 -2.00 0.00 0.00 179.45 178.13 1ws5 n GLU 22 N -2.98 1.66 0.00 0.07 -0.58 -1.26 -3.79 120.64 113.75 1ws5 n GLU 22 Ca -0.03 -1.42 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1ws5 n GLU 22 Cb 0.20 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1ws5 n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ws5 n THR 23 N 0.74 0.00 -3.26 2.62 -2.24 -0.57 -4.99 114.28 106.57 1ws5 n THR 23 Ca 0.10 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1ws5 n THR 23 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1ws5 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ws5 n ALA 24 N -3.00 -0.32 -1.88 6.98 0.00 -1.14 -4.45 120.51 116.70 1ws5 n ALA 24 Ca 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1ws5 n ALA 24 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1ws5 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ws5 s ILE 25 N -2.73 3.77 0.00 0.00 1.01 -1.03 -1.93 121.20 120.30 1ws5 s ILE 25 Ca 0.03 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1ws5 s ILE 25 Cb -0.01 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1ws5 s ILE 25 CO 0.01 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1ws5 n GLY 26 N 1.59 0.30 3.79 6.18 0.00 0.18 -0.85 105.19 116.38 1ws5 n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1ws5 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws5 s ASP 27 N -0.04 5.93 -0.16 1.61 1.01 -1.24 -4.29 116.67 119.50 1ws5 s ASP 27 Ca 0.00 1.93 -0.07 0.00 0.71 0.00 0.00 52.55 55.13 1ws5 s ASP 27 Cb 0.00 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.44 1ws5 s ASP 27 CO 0.00 -1.06 0.35 0.12 0.21 0.00 0.00 175.17 174.79 1ws5 s PHE 28 N -2.15 -0.57 -0.10 4.23 5.36 -0.01 -1.86 117.98 122.88 1ws5 s PHE 28 Ca 0.67 1.20 -0.09 0.00 -0.96 0.00 0.00 56.93 57.74 1ws5 s PHE 28 Cb -0.18 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1ws5 s PHE 28 CO 0.29 -0.37 0.27 -1.14 -1.46 0.00 0.00 175.22 172.81 1ws5 s GLN 29 N 1.99 0.33 -0.02 10.12 -0.44 0.60 -1.36 119.66 130.87 1ws5 s GLN 29 Ca -0.05 0.35 0.05 0.00 -2.50 0.00 0.00 55.36 53.21 1ws5 s GLN 29 Cb -0.11 0.16 -0.01 0.00 -1.64 0.00 0.00 33.01 31.41 1ws5 s GLN 29 CO -0.11 -0.04 -0.16 0.08 0.50 0.00 0.00 175.29 175.56 1ws5 s VAL 30 N 0.07 1.28 -0.38 1.34 1.01 -1.26 -0.31 120.40 122.16 1ws5 s VAL 30 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1ws5 s VAL 30 Cb -0.02 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1ws5 s VAL 30 CO 0.00 0.37 0.20 -0.69 0.00 0.00 0.00 175.10 174.99 1ws5 s VAL 31 N -0.29 4.52 0.54 2.92 1.01 0.12 -0.60 120.40 128.63 1ws5 s VAL 31 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1ws5 s VAL 31 Cb -0.07 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1ws5 s VAL 31 CO -0.00 -0.25 0.77 -0.31 0.00 0.00 0.00 175.10 175.31 1ws5 s TYR 32 N 1.54 2.91 -0.12 5.22 1.51 0.09 -0.65 117.35 127.85 1ws5 s TYR 32 Ca 0.02 0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.06 1ws5 s TYR 32 Cb -0.19 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1ws5 s TYR 32 CO 0.06 -0.83 0.08 0.34 -1.11 0.00 0.00 175.55 174.09 1ws5 s ASP 33 N -4.40 5.84 -0.42 2.29 2.15 -0.42 0.17 116.67 121.87 1ws5 s ASP 33 Ca 0.56 0.28 0.02 0.00 0.43 0.00 0.00 52.55 53.84 1ws5 s ASP 33 Cb -0.10 -1.84 0.13 0.00 -0.30 0.00 0.00 42.92 40.80 1ws5 s ASP 33 CO 0.39 0.35 0.21 -0.22 -0.17 0.00 0.00 175.17 175.73 1ws5 s LEU 34 N -0.68 2.85 -1.35 -1.34 2.96 0.13 -1.24 118.68 120.00 1ws5 s LEU 34 Ca 0.12 -2.50 -0.04 0.00 -0.22 0.00 0.00 54.13 51.49 1ws5 s LEU 34 Cb -0.12 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.51 1ws5 s LEU 34 CO 0.02 -0.29 0.85 0.59 -1.32 0.00 0.00 176.35 176.21 1ws5 n ASN 35 N 3.72 -2.64 0.00 3.68 5.03 -1.26 -2.48 115.26 121.31 1ws5 n ASN 35 Ca 0.07 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1ws5 n ASN 35 Cb 0.36 -4.25 0.00 0.00 -1.02 0.00 0.00 39.78 34.86 1ws5 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ws5 n GLY 36 N -1.58 2.11 3.44 7.41 0.00 -1.26 -5.05 105.19 110.25 1ws5 n GLY 36 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1ws5 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ws5 s SER 37 N -1.63 3.69 0.40 1.61 0.01 -1.04 -5.11 113.70 111.64 1ws5 s SER 37 Ca 0.00 -0.51 -0.26 0.00 1.31 0.00 0.00 55.95 56.49 1ws5 s SER 37 Cb 0.00 -0.51 -0.09 0.00 0.21 0.00 0.00 66.02 65.63 1ws5 s SER 37 CO 0.00 0.23 1.26 -2.84 0.41 0.00 0.00 173.24 172.30 1ws5 s PRO 38 N -1.64 3.99 -0.19 12.44 0.02 -1.26 0.18 135.00 148.53 1ws5 s PRO 38 Ca 0.15 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 1ws5 s PRO 38 Cb -0.10 -2.73 0.05 0.00 0.02 0.00 0.00 34.50 31.74 1ws5 s PRO 38 CO 0.06 -0.44 -0.01 -0.47 -0.33 0.00 0.00 177.00 175.81 1ws5 s TYR 39 N -1.31 1.48 -0.37 6.54 6.14 0.13 -4.79 117.35 125.17 1ws5 s TYR 39 Ca 0.57 -1.09 -0.29 0.00 0.64 0.00 0.00 57.07 56.90 1ws5 s TYR 39 Cb -0.36 -1.21 0.00 0.00 0.42 0.00 0.00 41.96 40.82 1ws5 s TYR 39 CO 0.46 -0.64 1.41 0.08 0.64 0.00 0.00 175.55 177.50 1ws5 s VAL 40 N 1.71 3.93 0.67 3.14 1.01 -1.26 -0.73 120.40 128.87 1ws5 s VAL 40 Ca -0.02 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1ws5 s VAL 40 Cb -0.17 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1ws5 s VAL 40 CO -0.07 -0.65 1.06 -0.83 0.00 0.00 0.00 175.10 174.62 1ws5 s GLY 41 N 3.77 1.83 0.45 4.51 0.00 0.23 -4.98 107.32 113.13 1ws5 s GLY 41 Ca 0.61 0.22 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 1ws5 s GLY 41 CO 0.30 0.54 1.35 1.62 0.00 0.00 0.00 173.10 176.91 1ws5 s GLN 42 N -4.69 3.71 -0.25 2.90 0.74 -1.26 -4.60 119.66 116.21 1ws5 s GLN 42 Ca 0.60 2.25 -0.27 0.00 0.05 0.00 0.00 55.36 58.00 1ws5 s GLN 42 Cb -0.15 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1ws5 s GLN 42 CO 0.49 -0.74 0.94 1.21 -0.55 0.00 0.00 175.29 176.64 1ws5 s ASN 43 N -0.72 6.95 -0.50 6.67 3.04 -1.26 -4.55 114.94 124.58 1ws5 s ASN 43 Ca 0.61 1.18 -0.16 0.00 0.04 0.00 0.00 52.86 54.53 1ws5 s ASN 43 Cb -0.40 -2.49 0.09 0.00 -1.54 0.00 0.00 41.25 36.91 1ws5 s ASN 43 CO 0.51 -0.62 0.46 -1.00 -3.04 0.00 0.00 177.10 173.41 1ws5 s HIS 44 N 3.07 3.22 -0.02 0.43 3.76 -0.47 -5.00 115.29 120.28 1ws5 s HIS 44 Ca 0.40 -1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 1ws5 s HIS 44 Cb -0.15 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 1ws5 s HIS 44 CO 0.07 -0.91 0.15 0.14 -0.85 0.00 0.00 174.74 173.35 1ws5 s VAL 45 N 1.74 5.28 0.76 -0.90 -7.23 -1.26 -0.83 120.40 117.95 1ws5 s VAL 45 Ca 0.05 -0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 1ws5 s VAL 45 Cb -0.26 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.30 1ws5 s VAL 45 CO 0.06 0.37 1.12 -0.55 -0.31 0.00 0.00 175.10 175.79 1ws5 s SER 46 N -1.77 4.37 0.00 4.85 0.15 -1.26 -4.84 113.70 115.20 1ws5 s SER 46 Ca 0.25 2.00 0.28 0.00 0.70 0.00 0.00 55.95 59.18 1ws5 s SER 46 Cb -0.12 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 62.76 1ws5 s SER 46 CO 0.16 -2.13 1.84 0.49 1.20 0.00 0.00 173.24 174.79 1ws5 n PHE 47 N -3.23 0.00 -4.70 3.44 3.72 -0.15 -4.86 117.46 111.68 1ws5 n PHE 47 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 1ws5 n PHE 47 Cb 0.52 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 1ws5 n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ws5 s ILE 48 N -2.97 1.28 0.00 4.37 -4.36 -1.26 -5.04 121.20 113.23 1ws5 s ILE 48 Ca 0.14 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1ws5 s ILE 48 Cb 0.19 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1ws5 s ILE 48 CO 0.56 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.09 1ws5 n THR 49 N -1.15 0.00 -0.22 8.37 -2.24 -1.26 -4.89 114.28 112.90 1ws5 n THR 49 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ws5 n THR 49 Cb 0.67 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ws5 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws5 n GLY 50 N 5.00 0.88 3.91 3.38 0.00 -1.26 -5.09 105.19 112.02 1ws5 n GLY 50 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1ws5 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws5 s PHE 51 N -2.00 3.48 -0.26 1.61 0.08 -1.26 -4.83 117.98 114.79 1ws5 s PHE 51 Ca 0.00 0.57 -0.13 0.00 0.12 0.00 0.00 56.93 57.49 1ws5 s PHE 51 Cb 0.00 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1ws5 s PHE 51 CO 0.00 0.18 0.28 0.99 -0.10 0.00 0.00 175.22 176.57 1ws5 s THR 52 N -2.10 5.25 0.46 0.64 2.01 0.11 -4.82 115.64 117.19 1ws5 s THR 52 Ca 0.43 0.38 -0.22 0.00 0.31 0.00 0.00 61.69 62.59 1ws5 s THR 52 Cb -0.11 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 1ws5 s THR 52 CO 0.31 0.22 1.07 -2.84 -0.69 0.00 0.00 174.62 172.69 1ws5 s PRO 53 N 1.76 3.88 -0.04 4.92 0.02 -1.26 -1.47 135.00 142.80 1ws5 s PRO 53 Ca 0.11 1.50 -0.02 0.00 0.02 0.00 0.00 61.00 62.61 1ws5 s PRO 53 Cb -0.15 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.10 1ws5 s PRO 53 CO 0.09 -0.39 0.10 0.08 -0.33 0.00 0.00 177.00 176.56 1ws5 s VAL 54 N -1.78 -0.03 -0.16 3.83 1.01 0.60 -4.96 120.40 118.91 1ws5 s VAL 54 Ca 0.64 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1ws5 s VAL 54 Cb -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1ws5 s VAL 54 CO 0.25 0.04 -0.17 -0.75 0.00 0.00 0.00 175.10 174.47 1ws5 s LYS 55 N 0.62 3.13 -0.41 2.72 2.20 -1.26 -1.99 119.74 124.76 1ws5 s LYS 55 Ca -0.05 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1ws5 s LYS 55 Cb -0.07 -2.59 0.10 0.00 -1.51 0.00 0.00 37.83 33.76 1ws5 s LYS 55 CO -0.03 -0.05 0.21 0.42 -0.36 0.00 0.00 175.35 175.55 1ws5 s ILE 56 N 0.96 3.50 -0.38 5.43 1.01 0.51 -5.00 121.20 127.22 1ws5 s ILE 56 Ca -0.03 -1.89 -0.15 0.00 0.00 0.00 0.00 60.65 58.59 1ws5 s ILE 56 Cb -0.15 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1ws5 s ILE 56 CO -0.03 -0.63 0.32 -0.44 0.00 0.00 0.00 174.94 174.15 1ws5 s SER 57 N 1.93 6.12 0.27 3.58 0.01 -1.26 -1.15 113.70 123.21 1ws5 s SER 57 Ca 0.06 -0.63 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1ws5 s SER 57 Cb -0.23 -2.17 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 1ws5 s SER 57 CO -0.03 -0.39 0.64 -0.76 0.41 0.00 0.00 173.24 173.11 1ws5 s LEU 58 N 1.82 4.12 -1.39 2.44 1.43 -0.63 -4.97 118.68 121.50 1ws5 s LEU 58 Ca 0.07 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1ws5 s LEU 58 Cb -0.18 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.26 1ws5 s LEU 58 CO 0.11 -0.14 2.20 -0.67 0.23 0.00 0.00 176.35 178.09 1ws5 n ASP 59 N -0.25 5.60 -4.76 2.29 4.64 -1.26 -4.87 116.55 117.93 1ws5 n ASP 59 Ca 0.02 -2.96 -0.41 0.00 -1.38 0.00 0.00 54.79 50.06 1ws5 n ASP 59 Cb 0.53 -1.53 -0.02 0.00 -1.04 0.00 0.00 41.12 39.06 1ws5 n ASP 59 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1ws5 s PHE 60 N 1.28 2.87 -2.72 -0.67 5.36 -1.26 -1.30 117.98 121.55 1ws5 s PHE 60 Ca 0.48 1.16 0.24 0.00 -0.96 0.00 0.00 56.93 57.84 1ws5 s PHE 60 Cb 0.13 -3.87 0.37 0.00 -0.34 0.00 0.00 43.02 39.31 1ws5 s PHE 60 CO -0.05 -2.63 1.36 -0.35 -1.46 0.00 0.00 175.22 172.10 1ws5 n PRO 61 N 1.30 2.35 0.23 10.12 -0.04 -1.26 -4.88 135.00 142.82 1ws5 n PRO 61 Ca 0.03 -2.00 0.10 0.00 -0.04 0.00 0.00 63.50 61.60 1ws5 n PRO 61 Cb 0.40 -1.48 0.48 0.00 -0.04 0.00 0.00 33.50 32.86 1ws5 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ws5 h SER 62 N 4.38 0.00 -3.36 3.54 4.64 -1.79 -3.42 113.55 117.54 1ws5 h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1ws5 h SER 62 Cb 0.95 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.81 1ws5 h SER 62 CO 0.00 0.21 -0.69 -0.70 -0.87 0.00 0.00 176.83 174.78 1ws5 s GLU 63 N -3.68 3.46 0.02 4.77 2.12 -0.42 -4.94 118.70 120.03 1ws5 s GLU 63 Ca 0.00 -0.56 -0.15 0.00 0.36 0.00 0.00 54.97 54.62 1ws5 s GLU 63 Cb 0.10 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1ws5 s GLU 63 CO 0.63 0.30 0.33 1.52 -0.54 0.00 0.00 175.26 177.50 1ws5 s TYR 64 N 0.17 -0.17 0.18 5.30 -0.85 -1.26 -4.34 117.35 116.38 1ws5 s TYR 64 Ca -0.03 0.14 -0.31 0.00 -0.52 0.00 0.00 57.07 56.35 1ws5 s TYR 64 Cb -0.14 0.12 -0.10 0.00 0.38 0.00 0.00 41.96 42.22 1ws5 s TYR 64 CO 0.03 -0.47 1.49 0.42 -1.52 0.00 0.00 175.55 175.50 1ws5 s ILE 65 N -2.04 2.80 -0.18 -3.49 1.01 -1.26 -2.37 121.20 115.67 1ws5 s ILE 65 Ca -0.08 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1ws5 s ILE 65 Cb -0.02 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1ws5 s ILE 65 CO 0.00 0.06 0.22 0.23 0.00 0.00 0.00 174.94 175.45 1ws5 n MET 66 N 3.51 2.78 -3.63 2.79 2.81 0.74 -4.73 117.12 121.38 1ws5 n MET 66 Ca 0.11 -0.03 -0.11 0.00 -1.81 0.00 0.00 57.70 55.86 1ws5 n MET 66 Cb 0.40 -0.97 -0.07 0.00 -0.71 0.00 0.00 33.22 31.87 1ws5 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ws5 s GLU 67 N -2.00 0.73 -0.10 0.03 2.12 -0.89 -0.67 118.70 117.93 1ws5 s GLU 67 Ca 0.00 0.95 0.03 0.00 0.36 0.00 0.00 54.97 56.32 1ws5 s GLU 67 Cb 0.05 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1ws5 s GLU 67 CO 0.28 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.76 1ws5 s VAL 68 N 0.65 1.89 0.16 3.70 1.01 -0.96 -1.05 120.40 125.80 1ws5 s VAL 68 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ws5 s VAL 68 Cb -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1ws5 s VAL 68 CO -0.05 0.52 0.07 -0.94 0.00 0.00 0.00 175.10 174.70 1ws5 s SER 69 N 0.50 0.43 0.00 3.32 1.04 -0.62 0.18 113.70 118.55 1ws5 s SER 69 Ca -0.16 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1ws5 s SER 69 Cb -0.17 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1ws5 s SER 69 CO 0.06 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1ws5 n GLY 70 N -0.19 -0.76 2.94 7.32 0.00 -0.65 -0.18 105.19 113.67 1ws5 n GLY 70 Ca -0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1ws5 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws5 s TYR 71 N -3.00 0.19 0.22 1.61 2.02 -0.83 -1.80 117.35 115.77 1ws5 s TYR 71 Ca 0.00 -0.29 0.11 0.00 -0.37 0.00 0.00 57.07 56.52 1ws5 s TYR 71 Cb 0.00 -0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 1ws5 s TYR 71 CO 0.00 -0.10 -0.21 0.95 -1.57 0.00 0.00 175.55 174.62 1ws5 s THR 72 N -0.80 2.30 0.00 -0.71 -4.23 -0.09 -0.94 115.64 111.17 1ws5 s THR 72 Ca -0.08 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 1ws5 s THR 72 Cb -0.06 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1ws5 s THR 72 CO -0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1ws5 n GLY 73 N -0.12 -0.36 3.79 3.99 0.00 -0.36 -1.04 105.19 111.09 1ws5 n GLY 73 Ca -0.09 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1ws5 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ws5 s ASN 74 N 0.00 6.77 -0.20 1.61 0.01 -1.26 -0.88 114.94 120.98 1ws5 s ASN 74 Ca 0.00 1.94 -0.04 0.00 -0.71 0.00 0.00 52.86 54.05 1ws5 s ASN 74 Cb 0.00 -2.57 0.07 0.00 0.41 0.00 0.00 41.25 39.16 1ws5 s ASN 74 CO 0.00 -0.48 0.09 -0.69 -1.51 0.00 0.00 177.10 174.50 1ws5 s VAL 75 N -1.80 0.09 0.00 1.60 1.01 -0.33 -4.92 120.40 116.05 1ws5 s VAL 75 Ca 0.59 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1ws5 s VAL 75 Cb -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1ws5 s VAL 75 CO 0.23 -0.36 0.00 -1.20 0.00 0.00 0.00 175.10 173.77 1ws5 n SER 76 N 5.21 0.00 0.01 3.32 7.64 -1.26 -2.07 113.62 126.46 1ws5 n SER 76 Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.93 1ws5 n SER 76 Cb 0.47 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.97 1ws5 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ws5 n GLY 77 N 0.00 -1.30 3.75 0.23 0.00 -1.26 -4.91 105.19 101.69 1ws5 n GLY 77 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1ws5 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws5 s TYR 78 N -3.02 3.70 -0.22 1.61 2.02 -0.88 -4.99 117.35 115.58 1ws5 s TYR 78 Ca 0.11 1.36 -0.23 0.00 -0.37 0.00 0.00 57.07 57.94 1ws5 s TYR 78 Cb 0.17 -2.75 -0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1ws5 s TYR 78 CO 0.68 0.28 0.74 0.08 -1.57 0.00 0.00 175.55 175.75 1ws5 s VAL 79 N 0.00 4.92 0.35 0.71 1.01 -1.26 -1.18 120.40 124.95 1ws5 s VAL 79 Ca 0.36 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.80 1ws5 s VAL 79 Cb -0.19 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1ws5 s VAL 79 CO 0.21 0.02 0.26 0.68 0.00 0.00 0.00 175.10 176.26 1ws5 s VAL 80 N 2.38 0.09 -0.52 2.92 -7.23 -0.06 -4.80 120.40 113.18 1ws5 s VAL 80 Ca 0.32 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 1ws5 s VAL 80 Cb -0.16 -2.46 0.05 0.00 0.56 0.00 0.00 36.38 34.36 1ws5 s VAL 80 CO 0.09 0.00 0.79 -0.69 -0.31 0.00 0.00 175.10 174.99 1ws5 s VAL 81 N -3.40 4.62 0.09 1.32 1.01 -0.13 -1.23 120.40 122.68 1ws5 s VAL 81 Ca 0.38 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1ws5 s VAL 81 Cb 0.02 -4.41 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1ws5 s VAL 81 CO 0.26 -0.94 1.29 0.03 0.00 0.00 0.00 175.10 175.74 1ws5 h ARG 82 N 9.14 0.00 -2.96 2.72 3.08 -1.33 -2.72 114.38 122.31 1ws5 h ARG 82 Ca -0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 1ws5 h ARG 82 Cb 1.08 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.94 1ws5 h ARG 82 CO 1.02 0.94 -0.19 0.45 -1.07 0.00 0.00 179.97 181.12 1ws5 s SER 83 N -6.68 -0.25 0.01 7.04 0.15 -1.11 -1.66 113.70 111.21 1ws5 s SER 83 Ca 0.01 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 1ws5 s SER 83 Cb 0.10 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1ws5 s SER 83 CO 0.81 -0.52 0.00 -0.76 1.20 0.00 0.00 173.24 173.97 1ws5 s LEU 84 N -1.53 2.07 -0.02 3.45 1.43 -0.88 -1.96 118.68 121.24 1ws5 s LEU 84 Ca -0.11 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ws5 s LEU 84 Cb -0.03 0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.34 1ws5 s LEU 84 CO 0.03 -0.20 -0.01 -0.89 0.23 0.00 0.00 176.35 175.51 1ws5 s THR 85 N -0.93 0.18 -0.17 5.49 2.01 0.75 -1.23 115.64 121.74 1ws5 s THR 85 Ca -0.10 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1ws5 s THR 85 Cb -0.06 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.22 1ws5 s THR 85 CO -0.00 0.11 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.51 1ws5 s PHE 86 N 0.63 2.78 -0.20 4.92 0.08 0.16 -1.58 117.98 124.77 1ws5 s PHE 86 Ca -0.06 -1.31 -0.03 0.00 0.12 0.00 0.00 56.93 55.65 1ws5 s PHE 86 Cb -0.09 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1ws5 s PHE 86 CO -0.01 -0.64 -0.08 0.21 -0.10 0.00 0.00 175.22 174.60 1ws5 s LYS 87 N 1.09 3.33 0.45 0.44 2.20 -0.22 0.87 119.74 127.90 1ws5 s LYS 87 Ca -0.00 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1ws5 s LYS 87 Cb -0.14 -2.89 0.06 0.00 -1.51 0.00 0.00 37.83 33.34 1ws5 s LYS 87 CO -0.06 -0.13 0.47 0.25 -0.36 0.00 0.00 175.35 175.52 1ws5 n THR 88 N 4.54 0.00 0.91 3.43 -2.24 0.10 -0.18 114.28 120.84 1ws5 n THR 88 Ca -0.19 -1.67 0.11 0.00 -2.27 0.00 0.00 64.05 60.03 1ws5 n THR 88 Cb 0.51 -0.33 0.51 0.00 -2.10 0.00 0.00 70.33 68.92 1ws5 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ws5 n ASN 89 N -2.12 0.00 -0.01 3.42 6.94 -1.00 -3.79 115.26 118.70 1ws5 n ASN 89 Ca 0.05 0.19 -0.02 0.00 -0.02 0.00 0.00 54.58 54.78 1ws5 n ASN 89 Cb 0.49 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1ws5 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ws5 n LYS 90 N -1.37 2.55 -4.00 -3.83 5.02 -1.26 -5.06 118.16 110.21 1ws5 n LYS 90 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1ws5 n LYS 90 Cb 0.20 -1.07 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 1ws5 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ws5 s LYS 91 N -2.07 1.90 -0.14 1.97 1.02 -1.25 -5.15 119.74 116.02 1ws5 s LYS 91 Ca -0.02 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.44 1ws5 s LYS 91 Cb 0.01 0.49 0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1ws5 s LYS 91 CO 0.10 -0.81 -0.21 0.99 -0.92 0.00 0.00 175.35 174.50 1ws5 s THR 92 N -3.13 1.98 -0.27 2.17 2.01 -1.26 0.00 115.64 117.14 1ws5 s THR 92 Ca 0.25 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1ws5 s THR 92 Cb -0.02 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1ws5 s THR 92 CO 0.15 0.53 0.06 -0.31 -0.69 0.00 0.00 174.62 174.37 1ws5 s TYR 93 N 0.90 3.09 0.00 4.92 1.51 0.25 -4.98 117.35 123.05 1ws5 s TYR 93 Ca -0.05 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1ws5 s TYR 93 Cb -0.15 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1ws5 s TYR 93 CO -0.03 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.33 1ws5 n GLY 94 N 4.88 -0.40 3.76 0.71 0.00 -1.26 -0.67 105.19 112.21 1ws5 n GLY 94 Ca -0.16 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.31 1ws5 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ws5 s PRO 95 N 0.00 2.95 -0.20 1.61 0.04 -1.26 -4.98 135.00 133.16 1ws5 s PRO 95 Ca 0.00 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1ws5 s PRO 95 Cb 0.00 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1ws5 s PRO 95 CO 0.00 -1.17 -0.17 0.71 0.04 0.00 0.00 177.00 176.41 1ws5 s TYR 96 N -1.96 2.81 0.00 0.56 2.02 -0.36 -4.97 117.35 115.45 1ws5 s TYR 96 Ca 0.72 -1.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 1ws5 s TYR 96 Cb -0.25 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1ws5 s TYR 96 CO 0.35 -0.81 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 1ws5 n GLY 97 N 4.60 -0.98 3.63 0.71 0.00 -1.26 -2.07 105.19 109.82 1ws5 n GLY 97 Ca -0.19 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 1ws5 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws5 s VAL 98 N 0.00 3.83 -0.54 1.61 1.01 -0.66 -4.85 120.40 120.79 1ws5 s VAL 98 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1ws5 s VAL 98 Cb 0.00 -3.83 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1ws5 s VAL 98 CO 0.00 -0.33 2.52 0.35 0.00 0.00 0.00 175.10 177.64 1ws5 n THR 99 N 6.30 3.36 -4.05 3.92 -2.24 -1.26 -3.72 114.28 116.59 1ws5 n THR 99 Ca 0.18 -3.20 -0.08 0.00 -2.27 0.00 0.00 64.05 58.68 1ws5 n THR 99 Cb 0.45 -1.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 1ws5 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ws5 s SER 100 N -0.08 0.41 0.00 3.42 0.15 -1.26 -5.08 113.70 111.27 1ws5 s SER 100 Ca 0.56 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1ws5 s SER 100 Cb 0.39 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1ws5 s SER 100 CO -0.25 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ws5 n GLY 101 N 0.48 0.21 3.57 9.45 0.00 -1.26 -4.62 105.19 113.02 1ws5 n GLY 101 Ca -0.17 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 1ws5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws5 s THR 102 N 0.00 5.16 0.62 2.61 2.01 -0.20 -4.89 115.64 120.95 1ws5 s THR 102 Ca 0.00 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1ws5 s THR 102 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1ws5 s THR 102 CO 0.00 0.01 1.04 -2.16 -0.69 0.00 0.00 174.62 172.81 1ws5 s PRO 103 N 2.07 3.40 0.03 4.92 0.04 -1.26 -0.92 135.00 143.29 1ws5 s PRO 103 Ca 0.14 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 1ws5 s PRO 103 Cb -0.16 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1ws5 s PRO 103 CO 0.11 -0.73 0.30 -0.59 0.04 0.00 0.00 177.00 176.13 1ws5 s PHE 104 N -2.94 -0.11 -0.25 0.56 -0.12 -0.74 -4.91 117.98 109.46 1ws5 s PHE 104 Ca 0.58 0.01 -0.25 0.00 -0.05 0.00 0.00 56.93 57.22 1ws5 s PHE 104 Cb -0.12 0.09 0.07 0.00 -0.63 0.00 0.00 43.02 42.42 1ws5 s PHE 104 CO 0.48 -0.48 0.72 0.54 -0.05 0.00 0.00 175.22 176.43 1ws5 s ASN 105 N -1.92 -0.74 -0.40 1.98 6.03 -1.26 -1.64 114.94 116.98 1ws5 s ASN 105 Ca -0.07 1.39 0.02 0.00 -1.03 0.00 0.00 52.86 53.17 1ws5 s ASN 105 Cb -0.02 1.39 0.12 0.00 -3.03 0.00 0.00 41.25 39.72 1ws5 s ASN 105 CO -0.02 -0.28 0.18 -0.22 -2.03 0.00 0.00 177.10 174.73 1ws5 s LEU 106 N 0.25 3.14 0.21 3.54 2.96 0.13 -4.99 118.68 123.93 1ws5 s LEU 106 Ca -0.01 -2.37 -0.22 0.00 -0.22 0.00 0.00 54.13 51.31 1ws5 s LEU 106 Cb -0.05 -1.18 -0.08 0.00 0.50 0.00 0.00 46.19 45.39 1ws5 s LEU 106 CO 0.02 -0.31 0.76 -2.84 -1.32 0.00 0.00 176.35 172.65 1ws5 s PRO 107 N 0.65 4.37 -0.20 0.98 0.02 -1.26 -2.27 135.00 137.28 1ws5 s PRO 107 Ca 0.15 0.99 -0.00 0.00 0.02 0.00 0.00 61.00 62.15 1ws5 s PRO 107 Cb -0.22 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1ws5 s PRO 107 CO -0.07 0.44 -0.14 0.42 -0.33 0.00 0.00 177.00 177.32 1ws5 s ILE 108 N -1.42 2.46 -0.01 2.83 -1.09 0.16 -4.98 121.20 119.14 1ws5 s ILE 108 Ca 0.41 -0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 1ws5 s ILE 108 Cb -0.19 -2.12 -0.32 0.00 -1.58 0.00 0.00 42.46 38.26 1ws5 s ILE 108 CO 0.23 0.42 0.81 -0.33 -1.23 0.00 0.00 174.94 174.83 1ws5 h GLU 109 N 7.97 0.42 -2.87 2.79 5.08 -1.97 -3.46 114.58 122.54 1ws5 h GLU 109 Ca -0.41 -0.72 -0.20 0.00 -1.00 0.00 0.00 59.36 57.03 1ws5 h GLU 109 Cb 1.13 0.27 -0.31 0.00 0.50 0.00 0.00 28.75 30.34 1ws5 h GLU 109 CO 0.61 1.33 -0.50 1.21 -1.00 0.00 0.00 179.01 180.66 1ws5 s ASN 110 N -7.34 0.14 0.00 1.42 2.47 -1.26 -5.12 114.94 105.24 1ws5 s ASN 110 Ca -0.13 0.61 0.00 0.00 0.42 0.00 0.00 52.86 53.77 1ws5 s ASN 110 Cb 0.05 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 1ws5 s ASN 110 CO 0.88 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.65 1ws5 n GLY 111 N 5.04 1.44 3.01 1.21 0.00 -1.26 -4.98 105.19 109.64 1ws5 n GLY 111 Ca -0.12 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1ws5 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ws5 s LEU 112 N 0.00 2.26 -0.15 0.99 1.43 0.11 -4.97 118.68 118.35 1ws5 s LEU 112 Ca 0.00 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 1ws5 s LEU 112 Cb 0.00 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 1ws5 s LEU 112 CO 0.00 -0.37 0.75 -0.63 0.23 0.00 0.00 176.35 176.33 1ws5 s ILE 113 N -2.02 4.96 -0.01 -0.59 -1.09 -1.26 -1.34 121.20 119.85 1ws5 s ILE 113 Ca -0.11 1.48 0.01 0.00 -2.23 0.00 0.00 60.65 59.81 1ws5 s ILE 113 Cb -0.06 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1ws5 s ILE 113 CO -0.03 0.11 0.93 1.33 -1.23 0.00 0.00 174.94 176.04 1ws5 n VAL 114 N 4.47 0.87 0.00 2.92 0.24 0.33 -4.50 118.33 122.66 1ws5 n VAL 114 Ca 0.02 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1ws5 n VAL 114 Cb 0.50 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1ws5 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ws5 n GLY 115 N -0.46 0.66 3.11 7.63 0.00 -1.23 -0.03 105.19 114.87 1ws5 n GLY 115 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1ws5 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws5 s PHE 116 N -2.00 0.87 0.07 1.61 0.08 -1.25 -0.94 117.98 116.41 1ws5 s PHE 116 Ca 0.00 -0.56 -0.14 0.00 0.12 0.00 0.00 56.93 56.36 1ws5 s PHE 116 Cb 0.00 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1ws5 s PHE 116 CO 0.00 -0.05 0.31 -1.59 -0.10 0.00 0.00 175.22 173.79 1ws5 s LYS 117 N -2.04 0.88 0.00 0.44 -2.85 -0.99 -1.33 119.74 113.85 1ws5 s LYS 117 Ca -0.04 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 1ws5 s LYS 117 Cb -0.07 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1ws5 s LYS 117 CO 0.00 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1ws5 n GLY 118 N 0.28 -0.69 3.41 0.59 0.00 -0.19 -0.64 105.19 107.94 1ws5 n GLY 118 Ca -0.17 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1ws5 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws5 s SER 119 N -4.00 -0.53 -0.03 1.61 0.15 -0.81 -0.52 113.70 109.56 1ws5 s SER 119 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1ws5 s SER 119 Cb 0.00 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.37 1ws5 s SER 119 CO 0.00 -0.18 -0.01 -0.63 1.20 0.00 0.00 173.24 173.62 1ws5 s ILE 120 N 0.24 0.24 0.00 6.45 1.01 -0.55 -0.72 121.20 127.87 1ws5 s ILE 120 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ws5 s ILE 120 Cb -0.04 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.10 1ws5 s ILE 120 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1ws5 n GLY 121 N 4.22 1.20 0.14 6.18 0.00 -1.26 -0.74 105.19 114.92 1ws5 n GLY 121 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1ws5 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ws5 h TYR 122 N 0.00 0.41 -4.34 1.61 -1.99 -1.94 -0.38 116.97 110.33 1ws5 h TYR 122 Ca 0.00 -0.22 -0.29 0.00 2.00 0.00 0.00 58.73 60.22 1ws5 h TYR 122 Cb 0.00 -0.05 -0.15 0.00 2.00 0.00 0.00 36.73 38.54 1ws5 h TYR 122 CO 0.00 1.03 -0.61 -1.58 -0.00 0.00 0.00 178.16 177.00 1ws5 s TRP 123 N -3.25 1.31 -0.39 4.88 0.51 -1.26 -4.48 118.94 116.26 1ws5 s TRP 123 Ca -0.04 -1.34 -0.28 0.00 -2.12 0.00 0.00 56.10 52.32 1ws5 s TRP 123 Cb 0.10 -0.68 -0.02 0.00 -0.81 0.00 0.00 33.47 32.06 1ws5 s TRP 123 CO 0.84 -0.56 1.80 -1.17 -0.51 0.00 0.00 176.95 177.35 1ws5 s LEU 124 N -3.22 3.47 0.04 2.99 2.96 -0.03 -4.43 118.68 120.47 1ws5 s LEU 124 Ca 0.39 1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 55.18 1ws5 s LEU 124 Cb 0.07 -3.32 -0.14 0.00 0.50 0.00 0.00 46.19 43.31 1ws5 s LEU 124 CO 0.13 -1.83 1.40 0.44 -1.32 0.00 0.00 176.35 175.17 1ws5 h ASP 125 N 13.24 0.31 -5.00 3.68 3.32 -1.24 -0.32 116.42 130.41 1ws5 h ASP 125 Ca -0.32 -0.41 0.15 0.00 0.02 0.00 0.00 57.03 56.47 1ws5 h ASP 125 Cb 1.17 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 1ws5 h ASP 125 CO 1.07 0.65 0.50 -0.72 -1.72 0.00 0.00 179.24 179.02 1ws5 s TYR 126 N -4.57 -0.24 0.07 4.55 -0.85 -1.23 -4.16 117.35 110.92 1ws5 s TYR 126 Ca -0.14 0.02 -0.22 0.00 -0.52 0.00 0.00 57.07 56.21 1ws5 s TYR 126 Cb 0.05 0.59 0.05 0.00 0.38 0.00 0.00 41.96 43.03 1ws5 s TYR 126 CO 0.73 -0.67 0.53 -0.59 -1.52 0.00 0.00 175.55 174.04 1ws5 s PHE 127 N -3.18 -0.44 0.20 -3.49 -0.71 -1.26 -1.93 117.98 107.17 1ws5 s PHE 127 Ca 0.09 0.43 0.04 0.00 -1.04 0.00 0.00 56.93 56.44 1ws5 s PHE 127 Cb -0.01 0.37 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1ws5 s PHE 127 CO -0.04 -0.68 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.01 1ws5 s SER 128 N -2.14 1.76 -0.01 1.98 0.01 0.18 -4.97 113.70 110.51 1ws5 s SER 128 Ca -0.04 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.11 1ws5 s SER 128 Cb -0.00 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1ws5 s SER 128 CO -0.04 -0.46 -0.13 -0.04 0.41 0.00 0.00 173.24 172.98 1ws5 s MET 129 N -3.83 1.03 -0.02 12.44 -1.94 -1.26 -2.35 119.30 123.37 1ws5 s MET 129 Ca 0.25 -0.47 -0.23 0.00 -1.71 0.00 0.00 55.69 53.53 1ws5 s MET 129 Cb 0.05 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.84 1ws5 s MET 129 CO 0.06 0.27 0.68 0.71 -0.01 0.00 0.00 175.02 176.73 1ws5 s TYR 130 N -0.32 3.65 0.03 -0.03 1.51 -0.12 -4.97 117.35 117.10 1ws5 s TYR 130 Ca 0.05 1.28 0.09 0.00 -1.01 0.00 0.00 57.07 57.48 1ws5 s TYR 130 Cb -0.05 -2.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1ws5 s TYR 130 CO -0.00 0.22 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.89 1ws5 s LEU 131 N 0.26 2.21 0.20 -1.29 1.43 -1.26 -0.52 118.68 119.72 1ws5 s LEU 131 Ca 0.35 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 1ws5 s LEU 131 Cb -0.19 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1ws5 s LEU 131 CO 0.19 0.27 0.52 -0.55 0.23 0.00 0.00 176.35 177.01 1ws5 s SER 132 N -1.15 -0.24 0.00 2.29 0.15 -0.45 -4.93 113.70 109.38 1ws5 s SER 132 Ca 0.12 -0.53 0.30 0.00 0.70 0.00 0.00 55.95 56.53 1ws5 s SER 132 Cb -0.10 0.58 1.44 0.00 -1.71 0.00 0.00 66.02 66.23 1ws5 s SER 132 CO 0.02 -1.07 1.96 0.18 1.20 0.00 0.00 173.24 175.53