#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 3.73 0.53 1.61 2.20 0.36 -4.82 119.74 123.36 1ws5 s LYS 2 Ca 0.00 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 54.96 1ws5 s LYS 2 Cb 0.00 -3.66 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1ws5 s LYS 2 CO 0.00 -0.28 1.05 0.00 -0.36 0.00 0.00 175.35 175.76 1ws5 s ALA 3 N 1.72 2.81 0.05 3.13 0.00 -1.26 -1.59 121.76 126.61 1ws5 s ALA 3 Ca 0.06 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1ws5 s ALA 3 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1ws5 s ALA 3 CO 0.10 -0.54 0.09 -0.59 0.00 0.00 0.00 175.76 174.82 1ws5 s PHE 4 N -2.16 0.23 -0.28 0.00 -0.71 0.28 -4.94 117.98 110.39 1ws5 s PHE 4 Ca 0.66 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.98 1ws5 s PHE 4 Cb -0.17 -0.16 0.15 0.00 -1.21 0.00 0.00 43.02 41.64 1ws5 s PHE 4 CO 0.27 -0.39 0.39 0.34 -1.34 0.00 0.00 175.22 174.50 1ws5 s ASP 5 N -2.31 0.49 0.30 1.98 -1.08 -1.26 -1.15 116.67 113.63 1ws5 s ASP 5 Ca -0.02 -0.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.78 1ws5 s ASP 5 Cb 0.01 1.05 0.45 0.00 -1.46 0.00 0.00 42.92 42.97 1ws5 s ASP 5 CO -0.06 -0.35 1.68 0.44 0.52 0.00 0.00 175.17 177.40 1ws5 h ASP 6 N 8.17 0.09 -4.49 -0.34 3.32 -1.58 -3.49 116.42 118.11 1ws5 h ASP 6 Ca -0.11 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ws5 h ASP 6 Cb 1.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1ws5 h ASP 6 CO 0.27 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.99 1ws5 n GLY 7 N -0.02 -1.80 3.71 2.75 0.00 -1.25 -4.95 105.19 103.63 1ws5 n GLY 7 Ca -0.02 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.70 3.36 0.00 4.61 0.00 -1.26 -3.84 121.76 122.92 1ws5 s ALA 8 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1ws5 s ALA 8 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1ws5 s ALA 8 CO 0.00 0.65 0.00 1.19 0.00 0.00 0.00 175.76 177.60 1ws5 n PHE 9 N 1.44 0.00 0.85 0.00 3.01 0.96 -4.99 117.46 118.74 1ws5 n PHE 9 Ca -0.15 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.41 1ws5 n PHE 9 Cb 0.53 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 1ws5 n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ws5 n THR 10 N 0.00 0.00 0.00 4.37 -2.24 -0.74 -4.83 114.28 110.84 1ws5 n THR 10 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1ws5 n THR 10 Cb 0.00 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1ws5 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws5 n GLY 11 N 1.25 -0.91 3.18 3.38 0.00 -1.20 -4.93 105.19 105.95 1ws5 n GLY 11 Ca 0.09 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 1.80 -0.18 -0.61 -1.09 -1.26 -1.30 121.20 116.56 1ws5 s ILE 12 Ca 0.00 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1ws5 s ILE 12 Cb 0.00 -1.56 -0.11 0.00 -1.58 0.00 0.00 42.46 39.21 1ws5 s ILE 12 CO 0.00 0.50 -0.16 0.54 -1.23 0.00 0.00 174.94 174.59 1ws5 n ARG 13 N 3.42 0.44 -3.66 2.79 1.74 -0.19 -4.79 116.66 116.40 1ws5 n ARG 13 Ca -0.19 0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 1ws5 n ARG 13 Cb 0.53 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.35 0.76 -0.09 5.56 2.12 -0.84 -1.42 118.70 122.44 1ws5 s GLU 14 Ca -0.24 0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1ws5 s GLU 14 Cb 0.06 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1ws5 s GLU 14 CO 0.40 -0.18 -0.15 0.42 -0.54 0.00 0.00 175.26 175.21 1ws5 s ILE 15 N -0.63 1.43 -0.18 -3.70 1.01 0.15 -0.29 121.20 119.00 1ws5 s ILE 15 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1ws5 s ILE 15 Cb -0.03 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1ws5 s ILE 15 CO 0.04 0.42 -0.18 0.20 0.00 0.00 0.00 174.94 175.43 1ws5 s ASN 16 N 0.75 3.30 0.13 3.58 0.01 0.96 0.02 114.94 123.70 1ws5 s ASN 16 Ca -0.12 -0.60 -0.03 0.00 -0.71 0.00 0.00 52.86 51.40 1ws5 s ASN 16 Cb -0.16 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 1ws5 s ASN 16 CO 0.02 0.02 0.11 -1.48 -1.51 0.00 0.00 177.10 174.27 1ws5 s LEU 17 N 1.19 1.59 0.11 0.60 0.05 -0.72 -0.33 118.68 121.17 1ws5 s LEU 17 Ca 0.02 -1.10 0.04 0.00 0.05 0.00 0.00 54.13 53.15 1ws5 s LEU 17 Cb -0.14 0.54 -0.04 0.00 -2.05 0.00 0.00 46.19 44.51 1ws5 s LEU 17 CO -0.09 -0.76 -0.10 -0.94 -0.55 0.00 0.00 176.35 173.90 1ws5 s SER 18 N -3.02 1.55 0.25 1.48 1.04 -0.83 -0.12 113.70 114.06 1ws5 s SER 18 Ca 0.21 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 1ws5 s SER 18 Cb 0.06 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1ws5 s SER 18 CO 0.00 -0.27 0.39 -0.72 0.98 0.00 0.00 173.24 173.63 1ws5 s TYR 19 N -2.59 0.68 -0.09 5.02 1.13 -0.74 -0.33 117.35 120.43 1ws5 s TYR 19 Ca 0.08 -0.98 -0.03 0.00 -1.41 0.00 0.00 57.07 54.72 1ws5 s TYR 19 Cb -0.02 -0.04 0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1ws5 s TYR 19 CO 0.00 -0.93 0.07 1.21 -2.51 0.00 0.00 175.55 173.39 1ws5 s ASN 20 N -3.09 1.59 0.00 -0.18 3.84 -0.99 0.21 114.94 116.32 1ws5 s ASN 20 Ca 0.28 -0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.17 1ws5 s ASN 20 Cb 0.01 -0.18 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 1ws5 s ASN 20 CO 0.12 -0.29 0.60 0.29 -2.79 0.00 0.00 177.10 175.03 1ws5 n LYS 21 N 5.29 0.00 -0.00 0.43 5.02 -1.26 -1.02 118.16 126.61 1ws5 n LYS 21 Ca -0.05 0.16 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1ws5 n LYS 21 Cb 0.50 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1ws5 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ws5 n GLU 22 N -1.10 3.57 0.00 1.97 1.02 -1.26 -4.63 120.64 120.21 1ws5 n GLU 22 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ws5 n GLU 22 Cb 0.04 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1ws5 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ws5 n THR 23 N -1.31 0.00 -2.74 2.62 -2.24 -0.19 -5.09 114.28 105.33 1ws5 n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ws5 n THR 23 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.00 -1.79 6.98 0.00 -1.21 -4.70 120.51 116.78 1ws5 n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ws5 n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.77 3.61 0.00 0.00 1.01 -1.07 -2.35 121.20 119.63 1ws5 s ILE 25 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1ws5 s ILE 25 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1ws5 s ILE 25 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1ws5 n GLY 26 N 1.34 -0.15 3.87 6.18 0.00 0.55 -1.51 105.19 115.47 1ws5 n GLY 26 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 6.59 -0.14 1.61 1.01 -1.25 -4.25 116.67 119.71 1ws5 s ASP 27 Ca 0.00 1.17 -0.06 0.00 0.71 0.00 0.00 52.55 54.37 1ws5 s ASP 27 Cb 0.00 -2.34 0.06 0.00 1.01 0.00 0.00 42.92 41.65 1ws5 s ASP 27 CO 0.00 -0.35 0.31 0.12 0.21 0.00 0.00 175.17 175.46 1ws5 s PHE 28 N -2.27 -0.48 -0.12 4.23 5.36 0.10 -1.97 117.98 122.83 1ws5 s PHE 28 Ca 0.52 1.05 -0.12 0.00 -0.96 0.00 0.00 56.93 57.42 1ws5 s PHE 28 Cb -0.10 0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1ws5 s PHE 28 CO 0.28 -0.32 0.34 -1.14 -1.46 0.00 0.00 175.22 172.91 1ws5 s GLN 29 N 1.80 0.40 0.02 10.12 -0.44 0.55 -1.45 119.66 130.66 1ws5 s GLN 29 Ca -0.05 0.44 0.05 0.00 -2.50 0.00 0.00 55.36 53.30 1ws5 s GLN 29 Cb -0.11 0.20 -0.02 0.00 -1.64 0.00 0.00 33.01 31.44 1ws5 s GLN 29 CO -0.10 -0.05 -0.14 0.08 0.50 0.00 0.00 175.29 175.58 1ws5 s VAL 30 N 0.12 1.13 -0.34 1.34 1.01 -1.26 -0.02 120.40 122.38 1ws5 s VAL 30 Ca -0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1ws5 s VAL 30 Cb -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1ws5 s VAL 30 CO 0.01 0.16 0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1ws5 s VAL 31 N -0.59 4.36 0.53 2.92 1.01 0.61 -1.10 120.40 128.13 1ws5 s VAL 31 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1ws5 s VAL 31 Cb -0.07 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1ws5 s VAL 31 CO 0.00 -0.09 0.75 -0.31 0.00 0.00 0.00 175.10 175.45 1ws5 s TYR 32 N 1.54 2.78 -0.13 5.22 1.51 0.81 -1.02 117.35 128.06 1ws5 s TYR 32 Ca 0.02 -0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 55.92 1ws5 s TYR 32 Cb -0.18 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 1ws5 s TYR 32 CO 0.05 -0.83 0.08 0.34 -1.11 0.00 0.00 175.55 174.08 1ws5 s ASP 33 N -4.43 5.87 -0.42 2.29 2.15 -0.42 0.25 116.67 121.96 1ws5 s ASP 33 Ca 0.57 0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.85 1ws5 s ASP 33 Cb -0.10 -1.87 0.13 0.00 -0.30 0.00 0.00 42.92 40.78 1ws5 s ASP 33 CO 0.38 0.34 0.20 -0.22 -0.17 0.00 0.00 175.17 175.69 1ws5 s LEU 34 N -0.60 3.00 -1.39 -1.34 2.96 0.13 -1.79 118.68 119.65 1ws5 s LEU 34 Ca 0.11 -2.47 -0.08 0.00 -0.22 0.00 0.00 54.13 51.47 1ws5 s LEU 34 Cb -0.12 -1.14 0.03 0.00 0.50 0.00 0.00 46.19 45.47 1ws5 s LEU 34 CO 0.02 -0.30 1.02 0.59 -1.32 0.00 0.00 176.35 176.37 1ws5 n ASN 35 N 3.76 -4.47 0.00 3.68 5.03 -1.26 -2.45 115.26 119.54 1ws5 n ASN 35 Ca 0.06 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1ws5 n ASN 35 Cb 0.36 -4.50 0.00 0.00 -1.02 0.00 0.00 39.78 34.62 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 -1.72 0.72 3.40 7.41 0.00 -1.26 -5.06 105.19 108.68 1ws5 n GLY 36 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.37 3.43 0.38 1.61 0.01 -1.03 -5.11 113.70 110.62 1ws5 s SER 37 Ca 0.00 -0.58 -0.27 0.00 1.31 0.00 0.00 55.95 56.41 1ws5 s SER 37 Cb 0.00 -0.38 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 1ws5 s SER 37 CO 0.00 0.23 1.29 -2.84 0.41 0.00 0.00 173.24 172.33 1ws5 s PRO 38 N -1.55 4.09 -0.16 12.44 0.02 -1.26 0.20 135.00 148.78 1ws5 s PRO 38 Ca 0.14 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.27 1ws5 s PRO 38 Cb -0.10 -2.84 0.05 0.00 0.02 0.00 0.00 34.50 31.62 1ws5 s PRO 38 CO 0.04 -0.38 -0.00 -0.47 -0.33 0.00 0.00 177.00 175.86 1ws5 s TYR 39 N -1.24 1.19 -0.49 6.54 6.14 0.14 -4.80 117.35 124.83 1ws5 s TYR 39 Ca 0.55 -0.78 -0.29 0.00 0.64 0.00 0.00 57.07 57.19 1ws5 s TYR 39 Cb -0.38 -1.08 0.03 0.00 0.42 0.00 0.00 41.96 40.95 1ws5 s TYR 39 CO 0.49 -0.55 1.13 0.08 0.64 0.00 0.00 175.55 177.34 1ws5 s VAL 40 N 1.80 4.20 0.71 3.14 1.01 -1.26 -0.13 120.40 129.86 1ws5 s VAL 40 Ca 0.01 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 1ws5 s VAL 40 Cb -0.15 -4.61 0.02 0.00 0.00 0.00 0.00 36.38 31.63 1ws5 s VAL 40 CO -0.07 -1.05 1.07 -0.83 0.00 0.00 0.00 175.10 174.22 1ws5 s GLY 41 N 2.52 1.75 0.63 4.51 0.00 -0.26 -4.98 107.32 111.49 1ws5 s GLY 41 Ca 0.46 0.21 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 1ws5 s GLY 41 CO 0.31 0.53 1.28 1.20 0.00 0.00 0.00 173.10 176.41 1ws5 s GLN 42 N -4.83 2.68 -0.23 2.90 -0.21 -1.26 -4.61 119.66 114.10 1ws5 s GLN 42 Ca 0.60 2.01 -0.23 0.00 0.02 0.00 0.00 55.36 57.77 1ws5 s GLN 42 Cb -0.16 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 1ws5 s GLN 42 CO 0.52 -1.49 0.74 1.21 -2.12 0.00 0.00 175.29 174.16 1ws5 s ASN 43 N -1.43 6.75 -0.47 5.90 2.47 -1.26 -4.54 114.94 122.36 1ws5 s ASN 43 Ca 0.81 0.93 -0.16 0.00 0.42 0.00 0.00 52.86 54.86 1ws5 s ASN 43 Cb -0.36 -2.40 0.07 0.00 -1.45 0.00 0.00 41.25 37.11 1ws5 s ASN 43 CO 0.38 -0.42 0.41 -1.00 -3.72 0.00 0.00 177.10 172.75 1ws5 s HIS 44 N 2.52 3.22 0.12 0.43 3.76 -0.53 -5.01 115.29 119.81 1ws5 s HIS 44 Ca 0.32 -0.85 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1ws5 s HIS 44 Cb -0.16 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1ws5 s HIS 44 CO 0.09 -0.80 0.11 0.15 -0.85 0.00 0.00 174.74 173.44 1ws5 s LYS 45 N 1.75 2.92 0.64 1.40 1.02 -1.26 -0.72 119.74 125.50 1ws5 s LYS 45 Ca 0.05 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.15 1ws5 s LYS 45 Cb -0.23 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1ws5 s LYS 45 CO 0.08 0.53 1.07 0.45 -0.92 0.00 0.00 175.35 176.56 1ws5 s SER 46 N -2.71 5.47 0.07 2.83 0.15 -1.26 -4.85 113.70 113.40 1ws5 s SER 46 Ca 0.30 1.83 0.22 0.00 0.70 0.00 0.00 55.95 59.00 1ws5 s SER 46 Cb -0.11 -2.53 0.90 0.00 -1.71 0.00 0.00 66.02 62.56 1ws5 s SER 46 CO 0.23 -1.38 1.69 0.49 1.20 0.00 0.00 173.24 175.47 1ws5 n PHE 47 N -2.41 0.27 -4.67 3.44 3.72 -0.15 -4.81 117.46 112.86 1ws5 n PHE 47 Ca 0.09 0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.28 1ws5 n PHE 47 Cb 0.53 -0.65 -0.08 0.00 -0.94 0.00 0.00 39.48 38.34 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 -3.07 0.99 0.24 4.37 -4.36 -1.26 -5.04 121.20 113.06 1ws5 s ILE 48 Ca 0.09 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1ws5 s ILE 48 Cb 0.13 -2.27 -0.00 0.00 1.25 0.00 0.00 42.46 41.57 1ws5 s ILE 48 CO 0.41 0.00 0.03 0.35 0.24 0.00 0.00 174.94 175.97 1ws5 n THR 49 N -1.12 0.00 0.00 8.37 -2.24 -1.26 -4.91 114.28 113.12 1ws5 n THR 49 Ca -0.14 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1ws5 n THR 49 Cb 0.66 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.51 1.10 3.91 3.38 0.00 -1.26 -5.10 105.19 108.72 1ws5 n GLY 50 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 1.61 0.08 -1.26 -4.85 117.98 114.79 1ws5 s PHE 51 Ca 0.00 0.64 -0.15 0.00 0.12 0.00 0.00 56.93 57.54 1ws5 s PHE 51 Cb 0.00 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1ws5 s PHE 51 CO 0.00 0.14 0.38 0.99 -0.10 0.00 0.00 175.22 176.63 1ws5 s THR 52 N -2.14 5.18 0.44 0.64 2.01 0.13 -4.82 115.64 117.09 1ws5 s THR 52 Ca 0.44 0.61 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 1ws5 s THR 52 Cb -0.11 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1ws5 s THR 52 CO 0.31 0.19 1.09 -2.84 -0.69 0.00 0.00 174.62 172.68 1ws5 s PRO 53 N 1.80 3.95 -0.02 4.92 0.02 -1.26 -1.79 135.00 142.61 1ws5 s PRO 53 Ca 0.16 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 1ws5 s PRO 53 Cb -0.15 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 31.97 1ws5 s PRO 53 CO 0.09 -0.34 0.05 0.08 -0.33 0.00 0.00 177.00 176.55 1ws5 s VAL 54 N -1.68 -0.02 -0.13 3.83 1.01 0.83 -4.96 120.40 119.28 1ws5 s VAL 54 Ca 0.62 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1ws5 s VAL 54 Cb -0.23 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1ws5 s VAL 54 CO 0.29 0.02 -0.16 -0.75 0.00 0.00 0.00 175.10 174.50 1ws5 s LYS 55 N 0.32 2.43 -0.41 2.72 2.20 -1.26 -1.75 119.74 123.98 1ws5 s LYS 55 Ca -0.02 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 1ws5 s LYS 55 Cb -0.04 -2.11 0.10 0.00 -1.51 0.00 0.00 37.83 34.27 1ws5 s LYS 55 CO -0.01 -0.14 0.23 0.42 -0.36 0.00 0.00 175.35 175.49 1ws5 s ILE 56 N 1.18 3.68 -0.41 5.43 1.01 0.10 -4.98 121.20 127.21 1ws5 s ILE 56 Ca -0.01 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.71 1ws5 s ILE 56 Cb -0.14 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1ws5 s ILE 56 CO -0.06 -0.61 0.34 -0.44 0.00 0.00 0.00 174.94 174.17 1ws5 s SER 57 N 2.02 6.14 0.23 3.58 0.01 -1.26 -0.67 113.70 123.74 1ws5 s SER 57 Ca 0.05 -0.81 -0.16 0.00 1.31 0.00 0.00 55.95 56.34 1ws5 s SER 57 Cb -0.23 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 1ws5 s SER 57 CO -0.02 -0.48 0.66 -0.76 0.41 0.00 0.00 173.24 173.05 1ws5 s LEU 58 N 1.83 4.26 -1.41 2.44 1.43 -0.51 -4.96 118.68 121.75 1ws5 s LEU 58 Ca 0.07 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 1ws5 s LEU 58 Cb -0.18 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.48 1ws5 s LEU 58 CO 0.11 -0.01 2.16 -0.67 0.23 0.00 0.00 176.35 178.17 1ws5 n ASP 59 N 0.41 4.45 -4.77 2.29 2.03 -1.26 -4.85 116.55 114.85 1ws5 n ASP 59 Ca -0.01 -2.91 -0.41 0.00 0.52 0.00 0.00 54.79 51.98 1ws5 n ASP 59 Cb 0.52 -1.60 -0.01 0.00 -0.72 0.00 0.00 41.12 39.30 1ws5 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ws5 s PHE 60 N 2.31 2.85 -2.72 -0.67 5.36 -1.26 -1.11 117.98 122.74 1ws5 s PHE 60 Ca 0.46 1.25 0.23 0.00 -0.96 0.00 0.00 56.93 57.91 1ws5 s PHE 60 Cb 0.13 -3.85 0.30 0.00 -0.34 0.00 0.00 43.02 39.26 1ws5 s PHE 60 CO -0.06 -2.47 1.32 -0.35 -1.46 0.00 0.00 175.22 172.19 1ws5 n PRO 61 N 0.88 2.38 0.18 10.12 -0.04 -1.26 -4.86 135.00 142.40 1ws5 n PRO 61 Ca 0.01 -2.09 0.02 0.00 -0.04 0.00 0.00 63.50 61.41 1ws5 n PRO 61 Cb 0.40 -1.48 0.34 0.00 -0.04 0.00 0.00 33.50 32.72 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 4.55 0.00 -3.27 3.54 4.64 -1.85 -3.41 113.55 117.74 1ws5 h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ws5 h SER 62 Cb 0.98 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.91 1ws5 h SER 62 CO 0.00 0.41 -0.59 -0.70 -0.87 0.00 0.00 176.83 175.07 1ws5 s GLU 63 N -4.08 3.79 0.04 4.77 2.12 -0.27 -4.94 118.70 120.13 1ws5 s GLU 63 Ca -0.02 -0.39 -0.12 0.00 0.36 0.00 0.00 54.97 54.80 1ws5 s GLU 63 Cb 0.14 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.45 1ws5 s GLU 63 CO 0.73 0.32 0.26 1.52 -0.54 0.00 0.00 175.26 177.55 1ws5 s TYR 64 N 0.20 -0.05 0.10 5.30 -0.85 -1.26 -4.30 117.35 116.49 1ws5 s TYR 64 Ca 0.02 -0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.15 1ws5 s TYR 64 Cb -0.13 0.05 -0.08 0.00 0.38 0.00 0.00 41.96 42.18 1ws5 s TYR 64 CO 0.01 -0.47 1.47 0.42 -1.52 0.00 0.00 175.55 175.47 1ws5 s ILE 65 N -2.49 3.19 -0.02 -3.49 -1.09 -1.26 -2.49 121.20 113.55 1ws5 s ILE 65 Ca -0.05 0.79 0.12 0.00 -2.23 0.00 0.00 60.65 59.27 1ws5 s ILE 65 Cb -0.01 -3.50 -0.18 0.00 -1.58 0.00 0.00 42.46 37.18 1ws5 s ILE 65 CO -0.03 0.04 0.25 0.23 -1.23 0.00 0.00 174.94 174.20 1ws5 n MET 66 N 4.49 0.38 -3.66 2.79 2.81 0.12 -4.73 117.12 119.32 1ws5 n MET 66 Ca 0.13 -0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1ws5 n MET 66 Cb 0.41 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.81 0.69 -0.07 0.03 2.12 -0.83 -0.28 118.70 117.55 1ws5 s GLU 67 Ca -0.04 0.94 0.05 0.00 0.36 0.00 0.00 54.97 56.28 1ws5 s GLU 67 Cb 0.07 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.72 1ws5 s GLU 67 CO 0.49 -0.11 -0.24 0.08 -0.54 0.00 0.00 175.26 174.94 1ws5 s VAL 68 N 0.76 2.01 0.22 3.70 1.01 -0.93 -0.81 120.40 126.35 1ws5 s VAL 68 Ca -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1ws5 s VAL 68 Cb -0.05 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1ws5 s VAL 68 CO -0.06 0.55 0.25 -0.94 0.00 0.00 0.00 175.10 174.91 1ws5 s SER 69 N 0.02 0.07 0.00 3.32 1.04 -0.60 0.47 113.70 118.02 1ws5 s SER 69 Ca -0.09 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1ws5 s SER 69 Cb -0.15 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1ws5 s SER 69 CO 0.05 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1ws5 n GLY 70 N -0.31 -0.66 2.99 7.32 0.00 -0.57 -0.00 105.19 113.95 1ws5 n GLY 70 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.41 0.20 1.61 2.02 -0.80 -1.59 117.35 116.20 1ws5 s TYR 71 Ca 0.00 -0.33 0.11 0.00 -0.37 0.00 0.00 57.07 56.48 1ws5 s TYR 71 Cb 0.00 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 1ws5 s TYR 71 CO 0.00 -0.08 -0.23 0.95 -1.57 0.00 0.00 175.55 174.62 1ws5 s THR 72 N -0.89 2.30 -0.19 -0.71 -4.23 -0.27 -0.32 115.64 111.34 1ws5 s THR 72 Ca -0.07 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1ws5 s THR 72 Cb -0.07 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1ws5 s THR 72 CO -0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1ws5 n GLY 73 N 0.14 -1.17 3.76 3.99 0.00 -0.37 -0.60 105.19 110.95 1ws5 n GLY 73 Ca -0.12 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.80 6.73 -0.07 1.61 -0.87 -1.26 -1.03 114.94 119.25 1ws5 s ASN 74 Ca 0.00 0.86 -0.02 0.00 -1.57 0.00 0.00 52.86 52.13 1ws5 s ASN 74 Cb 0.00 -2.27 0.03 0.00 -0.02 0.00 0.00 41.25 38.99 1ws5 s ASN 74 CO 0.00 0.13 0.04 -0.69 -2.57 0.00 0.00 177.10 174.01 1ws5 s VAL 75 N -0.03 0.06 -1.40 1.60 1.01 -0.18 -4.82 120.40 116.64 1ws5 s VAL 75 Ca 0.25 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1ws5 s VAL 75 Cb -0.16 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1ws5 s VAL 75 CO 0.11 0.15 0.28 -0.24 0.00 0.00 0.00 175.10 175.40 1ws5 n SER 76 N 5.24 -4.91 0.00 3.32 2.88 -1.26 -1.43 113.62 117.46 1ws5 n SER 76 Ca -0.05 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ws5 n SER 76 Cb 0.50 -4.06 0.00 0.00 -0.75 0.00 0.00 64.21 59.89 1ws5 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ws5 n GLY 77 N -1.13 0.83 3.58 0.46 0.00 -1.26 -5.04 105.19 102.63 1ws5 n GLY 77 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.24 2.81 -0.28 1.61 2.02 -0.52 -5.08 117.35 114.67 1ws5 s TYR 78 Ca 0.00 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.42 1ws5 s TYR 78 Cb 0.00 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1ws5 s TYR 78 CO 0.00 0.38 0.55 0.08 -1.57 0.00 0.00 175.55 174.98 1ws5 s VAL 79 N -1.07 5.03 0.27 0.71 1.01 -1.26 -1.01 120.40 124.09 1ws5 s VAL 79 Ca 0.19 0.82 0.03 0.00 0.00 0.00 0.00 61.98 63.01 1ws5 s VAL 79 Cb -0.11 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ws5 s VAL 79 CO 0.10 -0.00 0.17 0.68 0.00 0.00 0.00 175.10 176.05 1ws5 s VAL 80 N 2.40 0.16 -0.33 2.92 -7.23 -0.20 -4.76 120.40 113.35 1ws5 s VAL 80 Ca 0.22 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1ws5 s VAL 80 Cb -0.15 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1ws5 s VAL 80 CO 0.10 0.00 0.72 -0.69 -0.31 0.00 0.00 175.10 174.92 1ws5 s VAL 81 N -3.76 4.83 -0.11 1.32 1.01 -0.07 -1.23 120.40 122.40 1ws5 s VAL 81 Ca 0.38 0.91 0.16 0.00 0.00 0.00 0.00 61.98 63.43 1ws5 s VAL 81 Cb 0.05 -4.11 -0.20 0.00 0.00 0.00 0.00 36.38 32.13 1ws5 s VAL 81 CO 0.18 -0.28 0.62 0.54 0.00 0.00 0.00 175.10 176.16 1ws5 n ARG 82 N 6.14 0.64 -3.78 2.72 1.74 0.57 -2.60 116.66 122.08 1ws5 n ARG 82 Ca 0.01 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1ws5 n ARG 82 Cb 0.48 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.10 1ws5 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ws5 s SER 83 N -5.73 -0.14 0.01 0.55 0.15 -1.12 -2.39 113.70 105.04 1ws5 s SER 83 Ca -0.05 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1ws5 s SER 83 Cb 0.08 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1ws5 s SER 83 CO 0.83 -0.45 -0.03 -0.76 1.20 0.00 0.00 173.24 174.03 1ws5 s LEU 84 N -1.41 2.12 -0.02 3.45 1.43 -0.86 -1.91 118.68 121.48 1ws5 s LEU 84 Ca -0.13 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ws5 s LEU 84 Cb -0.05 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.17 1ws5 s LEU 84 CO 0.03 -0.13 -0.01 -0.89 0.23 0.00 0.00 176.35 175.58 1ws5 s THR 85 N -0.71 0.20 -0.19 5.49 2.01 0.99 -1.04 115.64 122.39 1ws5 s THR 85 Ca -0.07 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ws5 s THR 85 Cb -0.05 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1ws5 s THR 85 CO -0.00 0.12 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.52 1ws5 s PHE 86 N 0.64 2.82 -0.19 4.92 0.08 0.20 -1.55 117.98 124.89 1ws5 s PHE 86 Ca -0.06 -1.47 -0.04 0.00 0.12 0.00 0.00 56.93 55.48 1ws5 s PHE 86 Cb -0.09 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ws5 s PHE 86 CO -0.01 -0.74 -0.04 0.21 -0.10 0.00 0.00 175.22 174.54 1ws5 s LYS 87 N 1.31 3.49 0.49 0.44 2.20 0.01 0.54 119.74 128.22 1ws5 s LYS 87 Ca 0.05 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1ws5 s LYS 87 Cb -0.13 -2.97 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1ws5 s LYS 87 CO -0.10 -0.02 0.40 0.25 -0.36 0.00 0.00 175.35 175.52 1ws5 n THR 88 N 4.28 0.00 1.48 3.43 -2.24 0.68 0.13 114.28 122.05 1ws5 n THR 88 Ca -0.18 -1.92 0.12 0.00 -2.27 0.00 0.00 64.05 59.81 1ws5 n THR 88 Cb 0.52 -0.13 0.72 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.91 0.00 0.00 3.42 6.94 -1.04 -3.73 115.26 118.95 1ws5 n ASN 89 Ca -0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.94 1ws5 n ASN 89 Cb 0.55 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 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 -1.07 3.18 -3.88 -3.83 5.02 -1.26 -5.05 118.16 111.27 1ws5 n LYS 90 Ca 0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 1ws5 n LYS 90 Cb 0.11 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1ws5 n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ws5 s LYS 91 N -1.89 1.67 -0.17 1.97 2.20 -1.24 -5.15 119.74 117.13 1ws5 s LYS 91 Ca 0.00 -1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 54.56 1ws5 s LYS 91 Cb 0.00 0.56 -0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1ws5 s LYS 91 CO 0.00 -0.74 -0.13 0.99 -0.36 0.00 0.00 175.35 175.11 1ws5 s THR 92 N -3.94 2.82 -0.31 3.43 2.01 -1.26 -0.23 115.64 118.16 1ws5 s THR 92 Ca 0.14 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1ws5 s THR 92 Cb -0.04 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.27 1ws5 s THR 92 CO 0.06 0.50 0.09 -0.31 -0.69 0.00 0.00 174.62 174.27 1ws5 s TYR 93 N 1.00 3.17 0.00 4.92 1.51 0.19 -4.99 117.35 123.15 1ws5 s TYR 93 Ca -0.01 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 1ws5 s TYR 93 Cb -0.15 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 1ws5 s TYR 93 CO -0.02 -0.59 0.00 0.41 -1.11 0.00 0.00 175.55 174.24 1ws5 n GLY 94 N 4.88 0.19 3.77 0.71 0.00 -1.26 -0.62 105.19 112.84 1ws5 n GLY 94 Ca -0.14 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.23 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 3.40 -0.23 1.61 0.04 -1.26 -4.98 135.00 133.58 1ws5 s PRO 95 Ca 0.00 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1ws5 s PRO 95 Cb 0.00 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ws5 s PRO 95 CO 0.00 -0.84 -0.09 0.71 0.04 0.00 0.00 177.00 176.82 1ws5 s TYR 96 N -1.62 2.97 0.00 0.56 2.02 -0.21 -4.97 117.35 116.10 1ws5 s TYR 96 Ca 0.71 -1.42 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1ws5 s TYR 96 Cb -0.28 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1ws5 s TYR 96 CO 0.32 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 1ws5 n GLY 97 N 4.69 -0.79 3.64 0.71 0.00 -1.26 -2.03 105.19 110.15 1ws5 n GLY 97 Ca -0.18 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 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 4.83 -1.45 1.61 1.01 -1.01 -4.88 120.40 120.51 1ws5 s VAL 98 Ca 0.00 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.42 1ws5 s VAL 98 Cb 0.00 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1ws5 s VAL 98 CO 0.00 -0.10 2.62 0.35 0.00 0.00 0.00 175.10 177.97 1ws5 n THR 99 N 5.30 4.88 -4.21 3.92 -2.24 -1.26 -3.87 114.28 116.80 1ws5 n THR 99 Ca 0.05 -3.62 -0.17 0.00 -2.27 0.00 0.00 64.05 58.04 1ws5 n THR 99 Cb 0.48 -2.29 -0.13 0.00 -2.10 0.00 0.00 70.33 66.29 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 1.10 1.26 0.00 3.42 0.15 -1.26 -5.07 113.70 113.30 1ws5 s SER 100 Ca 0.60 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1ws5 s SER 100 Cb 0.18 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1ws5 s SER 100 CO -0.08 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1ws5 n GLY 101 N 1.85 0.27 3.49 9.45 0.00 -1.26 -4.54 105.19 114.45 1ws5 n GLY 101 Ca -0.19 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 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 4.57 0.67 2.61 2.01 0.23 -4.91 115.64 120.82 1ws5 s THR 102 Ca 0.00 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1ws5 s THR 102 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1ws5 s THR 102 CO 0.00 0.32 1.05 -2.16 -0.69 0.00 0.00 174.62 173.14 1ws5 s PRO 103 N 1.63 3.13 0.02 4.92 0.04 -1.26 -1.11 135.00 142.37 1ws5 s PRO 103 Ca 0.06 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 1ws5 s PRO 103 Cb -0.15 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1ws5 s PRO 103 CO 0.05 -0.93 0.35 -0.59 0.04 0.00 0.00 177.00 175.92 1ws5 s PHE 104 N -3.11 -0.19 -0.23 0.56 -0.12 -0.62 -4.91 117.98 109.36 1ws5 s PHE 104 Ca 0.57 0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 57.39 1ws5 s PHE 104 Cb -0.13 0.14 0.06 0.00 -0.63 0.00 0.00 43.02 42.46 1ws5 s PHE 104 CO 0.54 -0.49 0.64 0.54 -0.05 0.00 0.00 175.22 176.41 1ws5 s ASN 105 N -1.78 -0.67 -0.40 1.98 6.03 -1.26 -1.52 114.94 117.33 1ws5 s ASN 105 Ca -0.08 1.27 0.02 0.00 -1.03 0.00 0.00 52.86 53.04 1ws5 s ASN 105 Cb -0.02 1.28 0.12 0.00 -3.03 0.00 0.00 41.25 39.60 1ws5 s ASN 105 CO -0.00 -0.24 0.17 -0.22 -2.03 0.00 0.00 177.10 174.77 1ws5 s LEU 106 N 0.27 3.31 0.19 3.54 2.96 0.18 -4.98 118.68 124.15 1ws5 s LEU 106 Ca -0.00 -2.34 -0.25 0.00 -0.22 0.00 0.00 54.13 51.31 1ws5 s LEU 106 Cb -0.04 -1.23 -0.08 0.00 0.50 0.00 0.00 46.19 45.34 1ws5 s LEU 106 CO 0.01 -0.32 0.80 -2.84 -1.32 0.00 0.00 176.35 172.68 1ws5 s PRO 107 N 0.68 4.56 -0.21 0.98 0.02 -1.26 -2.19 135.00 137.58 1ws5 s PRO 107 Ca 0.14 1.17 -0.02 0.00 0.02 0.00 0.00 61.00 62.31 1ws5 s PRO 107 Cb -0.22 -3.18 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1ws5 s PRO 107 CO -0.08 0.53 -0.10 0.42 -0.33 0.00 0.00 177.00 177.43 1ws5 s ILE 108 N -1.23 2.82 -0.05 2.83 1.01 0.62 -4.98 121.20 122.21 1ws5 s ILE 108 Ca 0.38 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1ws5 s ILE 108 Cb -0.22 -2.27 -0.30 0.00 0.01 0.00 0.00 42.46 39.68 1ws5 s ILE 108 CO 0.26 0.44 0.65 -0.08 0.00 0.00 0.00 174.94 176.20 1ws5 h GLU 109 N 8.03 0.36 -2.85 2.79 4.81 -1.97 -3.46 114.58 122.29 1ws5 h GLU 109 Ca -0.42 -0.62 -0.20 0.00 -0.13 0.00 0.00 59.36 58.00 1ws5 h GLU 109 Cb 1.15 0.23 -0.31 0.00 0.63 0.00 0.00 28.75 30.44 1ws5 h GLU 109 CO 0.61 1.28 -0.50 1.21 -0.73 0.00 0.00 179.01 180.88 1ws5 s ASN 110 N -7.22 0.15 0.00 1.04 2.47 -1.26 -5.13 114.94 104.99 1ws5 s ASN 110 Ca -0.16 0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.75 1ws5 s ASN 110 Cb 0.06 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.56 1ws5 s ASN 110 CO 0.84 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.61 1ws5 n GLY 111 N 5.10 1.45 3.02 1.21 0.00 -1.26 -4.99 105.19 109.72 1ws5 n GLY 111 Ca -0.11 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 2.17 -0.11 0.99 1.43 0.93 -4.96 118.68 119.12 1ws5 s LEU 112 Ca 0.00 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 1ws5 s LEU 112 Cb 0.00 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1ws5 s LEU 112 CO 0.00 -0.36 0.74 -0.63 0.23 0.00 0.00 176.35 176.32 1ws5 s ILE 113 N -1.87 4.99 -0.02 -0.59 1.01 -1.26 -1.19 121.20 122.27 1ws5 s ILE 113 Ca -0.12 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.04 1ws5 s ILE 113 Cb -0.07 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.38 1ws5 s ILE 113 CO -0.02 0.17 0.85 1.33 0.00 0.00 0.00 174.94 177.27 1ws5 n VAL 114 N 4.17 0.68 0.00 2.92 0.24 -0.09 -4.51 118.33 121.74 1ws5 n VAL 114 Ca 0.01 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1ws5 n VAL 114 Cb 0.50 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.41 0.55 3.05 7.63 0.00 -1.24 -0.02 105.19 114.75 1ws5 n GLY 115 Ca 0.02 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 0.51 0.15 1.61 0.08 -1.25 -1.30 117.98 115.77 1ws5 s PHE 116 Ca 0.00 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.23 1ws5 s PHE 116 Cb 0.00 -0.33 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 1ws5 s PHE 116 CO 0.00 -0.20 0.36 -1.59 -0.10 0.00 0.00 175.22 173.69 1ws5 s LYS 117 N -2.36 1.12 0.00 0.44 -2.85 -0.92 -1.26 119.74 113.91 1ws5 s LYS 117 Ca -0.06 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 1ws5 s LYS 117 Cb -0.04 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1ws5 s LYS 117 CO -0.03 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.40 1ws5 n GLY 118 N -0.22 -0.56 3.41 0.59 0.00 -0.30 -0.59 105.19 107.53 1ws5 n GLY 118 Ca -0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.51 -0.04 1.61 0.15 -0.81 -0.56 113.70 109.54 1ws5 s SER 119 Ca 0.00 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1ws5 s SER 119 Cb 0.00 0.88 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1ws5 s SER 119 CO 0.00 -0.29 -0.01 -0.63 1.20 0.00 0.00 173.24 173.51 1ws5 s ILE 120 N -0.19 0.33 0.00 6.45 1.01 -0.62 -0.88 121.20 127.30 1ws5 s ILE 120 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ws5 s ILE 120 Cb -0.03 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1ws5 s ILE 120 CO 0.03 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1ws5 n GLY 121 N 4.37 0.97 0.11 6.18 0.00 -1.26 -0.48 105.19 115.08 1ws5 n GLY 121 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.30 -4.31 1.61 0.99 -1.95 -0.37 116.97 113.25 1ws5 h TYR 122 Ca 0.00 -0.19 -0.37 0.00 2.00 0.00 0.00 58.73 60.18 1ws5 h TYR 122 Cb 0.00 -0.03 -0.14 0.00 1.00 0.00 0.00 36.73 37.56 1ws5 h TYR 122 CO 0.00 1.05 -0.57 -1.58 -0.00 0.00 0.00 178.16 177.06 1ws5 s TRP 123 N -3.01 1.49 -0.56 4.88 0.51 -1.26 -4.51 118.94 116.48 1ws5 s TRP 123 Ca -0.03 -1.42 -0.27 0.00 -2.12 0.00 0.00 56.10 52.26 1ws5 s TRP 123 Cb 0.09 -0.74 0.00 0.00 -0.81 0.00 0.00 33.47 32.01 1ws5 s TRP 123 CO 0.84 -0.61 1.56 -1.17 -0.51 0.00 0.00 176.95 177.06 1ws5 s LEU 124 N -3.30 3.37 0.19 2.99 2.96 -0.57 -4.31 118.68 120.00 1ws5 s LEU 124 Ca 0.38 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 1ws5 s LEU 124 Cb 0.05 -2.94 0.11 0.00 0.50 0.00 0.00 46.19 43.92 1ws5 s LEU 124 CO 0.17 -1.89 1.59 0.44 -1.32 0.00 0.00 176.35 175.35 1ws5 h ASP 125 N 12.18 0.87 -4.75 3.68 3.32 -1.31 -0.16 116.42 130.25 1ws5 h ASP 125 Ca -0.27 -0.33 0.19 0.00 0.02 0.00 0.00 57.03 56.64 1ws5 h ASP 125 Cb 1.12 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.27 1ws5 h ASP 125 CO 1.18 1.07 0.63 -0.72 -1.72 0.00 0.00 179.24 179.68 1ws5 s TYR 126 N -4.60 -0.21 0.07 4.55 -0.85 -1.24 -4.23 117.35 110.83 1ws5 s TYR 126 Ca -0.10 0.08 -0.18 0.00 -0.52 0.00 0.00 57.07 56.35 1ws5 s TYR 126 Cb 0.13 0.55 0.04 0.00 0.38 0.00 0.00 41.96 43.05 1ws5 s TYR 126 CO 0.85 -0.45 0.42 -0.59 -1.52 0.00 0.00 175.55 174.26 1ws5 s PHE 127 N -2.84 -0.26 0.15 -3.49 -0.71 -1.26 -1.93 117.98 107.64 1ws5 s PHE 127 Ca 0.08 0.15 0.03 0.00 -1.04 0.00 0.00 56.93 56.15 1ws5 s PHE 127 Cb -0.00 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1ws5 s PHE 127 CO -0.05 -0.61 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.06 1ws5 s SER 128 N -2.22 1.37 -0.02 1.98 0.01 0.25 -4.95 113.70 110.12 1ws5 s SER 128 Ca -0.03 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.17 1ws5 s SER 128 Cb -0.00 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1ws5 s SER 128 CO -0.05 -0.49 -0.14 -0.04 0.41 0.00 0.00 173.24 172.93 1ws5 s MET 129 N -3.85 1.19 0.02 12.44 -1.94 -1.26 -2.17 119.30 123.72 1ws5 s MET 129 Ca 0.20 -0.50 -0.23 0.00 -1.71 0.00 0.00 55.69 53.45 1ws5 s MET 129 Cb 0.05 -1.13 -0.05 0.00 2.01 0.00 0.00 34.83 35.71 1ws5 s MET 129 CO 0.01 0.28 0.70 0.71 -0.01 0.00 0.00 175.02 176.72 1ws5 s TYR 130 N -0.24 3.71 0.04 -0.03 1.51 -0.42 -4.98 117.35 116.94 1ws5 s TYR 130 Ca 0.04 1.37 0.09 0.00 -1.01 0.00 0.00 57.07 57.55 1ws5 s TYR 130 Cb -0.06 -2.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 1ws5 s TYR 130 CO -0.00 0.29 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.97 1ws5 s LEU 131 N -0.06 2.16 0.20 -1.29 1.43 -1.26 -0.91 118.68 118.95 1ws5 s LEU 131 Ca 0.36 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1ws5 s LEU 131 Cb -0.20 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.84 1ws5 s LEU 131 CO 0.21 0.24 0.50 -0.55 0.23 0.00 0.00 176.35 176.97 1ws5 s SER 132 N -1.18 -0.20 0.00 2.29 0.15 -0.33 -4.93 113.70 109.49 1ws5 s SER 132 Ca 0.10 -0.59 0.28 0.00 0.70 0.00 0.00 55.95 56.45 1ws5 s SER 132 Cb -0.10 0.57 1.05 0.00 -1.71 0.00 0.00 66.02 65.84 1ws5 s SER 132 CO 0.02 -1.06 1.75 0.18 1.20 0.00 0.00 173.24 175.32