#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws4 s LYS 2 N 0.00 4.11 0.53 1.61 2.20 0.24 -4.71 119.74 123.73 1ws4 s LYS 2 Ca 0.00 0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 56.18 1ws4 s LYS 2 Cb 0.00 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1ws4 s LYS 2 CO 0.00 -0.53 1.09 0.00 -0.36 0.00 0.00 175.35 175.55 1ws4 s ALA 3 N 2.79 2.75 0.05 3.13 0.00 -1.26 -1.80 121.76 127.42 1ws4 s ALA 3 Ca 0.32 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 1ws4 s ALA 3 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1ws4 s ALA 3 CO 0.09 -0.64 0.04 -0.59 0.00 0.00 0.00 175.76 174.65 1ws4 s PHE 4 N -1.92 0.34 -0.29 0.00 -0.71 -0.02 -4.94 117.98 110.44 1ws4 s PHE 4 Ca 0.70 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.85 1ws4 s PHE 4 Cb -0.20 -0.25 0.17 0.00 -1.21 0.00 0.00 43.02 41.52 1ws4 s PHE 4 CO 0.26 -0.37 0.44 0.34 -1.34 0.00 0.00 175.22 174.55 1ws4 s ASP 5 N -2.48 0.08 0.32 1.98 -1.08 -1.26 -1.17 116.67 113.06 1ws4 s ASP 5 Ca 0.00 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 51.80 1ws4 s ASP 5 Cb 0.02 1.25 0.53 0.00 -1.46 0.00 0.00 42.92 43.26 1ws4 s ASP 5 CO -0.07 -0.35 1.74 0.44 0.52 0.00 0.00 175.17 177.45 1ws4 h ASP 6 N 8.13 0.22 -4.73 -0.34 3.32 -1.61 -3.49 116.42 117.93 1ws4 h ASP 6 Ca -0.07 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ws4 h ASP 6 Cb 1.13 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1ws4 h ASP 6 CO 0.25 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 1ws4 n GLY 7 N -0.31 -1.82 3.74 2.75 0.00 -1.25 -4.96 105.19 103.35 1ws4 n GLY 7 Ca -0.01 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1ws4 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws4 s ALA 8 N -1.72 3.44 0.00 4.61 0.00 -1.26 -3.86 121.76 122.97 1ws4 s ALA 8 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ws4 s ALA 8 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1ws4 s ALA 8 CO 0.00 0.62 0.00 1.19 0.00 0.00 0.00 175.76 177.57 1ws4 n PHE 9 N 1.90 0.00 0.87 0.00 3.01 0.13 -5.00 117.46 118.37 1ws4 n PHE 9 Ca -0.18 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.38 1ws4 n PHE 9 Cb 0.54 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.03 1ws4 n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ws4 n THR 10 N 0.00 0.00 -0.12 4.37 -2.24 -0.84 -4.82 114.28 110.63 1ws4 n THR 10 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1ws4 n THR 10 Cb 0.00 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1ws4 n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws4 n GLY 11 N 1.26 -1.75 3.13 3.38 0.00 -1.20 -4.93 105.19 105.07 1ws4 n GLY 11 Ca 0.09 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1ws4 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws4 s ILE 12 N -2.04 1.51 -0.17 -0.61 1.01 -1.26 -1.26 121.20 118.38 1ws4 s ILE 12 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 1ws4 s ILE 12 Cb 0.00 -1.32 -0.10 0.00 0.01 0.00 0.00 42.46 41.05 1ws4 s ILE 12 CO 0.00 0.44 -0.17 0.54 0.00 0.00 0.00 174.94 175.75 1ws4 n ARG 13 N 3.42 0.41 -3.70 2.79 1.74 -0.19 -4.78 116.66 116.35 1ws4 n ARG 13 Ca -0.20 0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1ws4 n ARG 13 Cb 0.53 -1.30 -0.09 0.00 -1.02 0.00 0.00 32.46 30.58 1ws4 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ws4 s GLU 14 N -2.34 0.64 -0.10 5.56 2.12 -0.83 -1.13 118.70 122.63 1ws4 s GLU 14 Ca -0.23 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.48 1ws4 s GLU 14 Cb 0.07 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1ws4 s GLU 14 CO 0.38 -0.13 -0.19 0.42 -0.54 0.00 0.00 175.26 175.19 1ws4 s ILE 15 N -0.39 1.74 -0.20 -3.70 1.09 0.06 -0.08 121.20 119.72 1ws4 s ILE 15 Ca -0.05 -0.82 0.01 0.00 -1.10 0.00 0.00 60.65 58.69 1ws4 s ILE 15 Cb -0.03 -1.53 0.02 0.00 -1.06 0.00 0.00 42.46 39.86 1ws4 s ILE 15 CO 0.03 0.49 -0.17 0.20 -0.10 0.00 0.00 174.94 175.38 1ws4 s ASN 16 N 0.58 3.44 0.17 3.58 0.01 0.67 -0.20 114.94 123.19 1ws4 s ASN 16 Ca -0.14 -0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 51.25 1ws4 s ASN 16 Cb -0.17 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 1ws4 s ASN 16 CO 0.05 -0.03 0.08 -1.48 -1.51 0.00 0.00 177.10 174.20 1ws4 s LEU 17 N 1.27 1.58 0.06 0.60 0.05 -0.75 -0.19 118.68 121.29 1ws4 s LEU 17 Ca 0.03 -1.28 0.02 0.00 0.05 0.00 0.00 54.13 52.95 1ws4 s LEU 17 Cb -0.14 0.27 -0.03 0.00 -2.05 0.00 0.00 46.19 44.24 1ws4 s LEU 17 CO -0.11 -0.75 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.92 1ws4 s SER 18 N -3.12 0.94 0.25 1.48 1.04 -0.94 -0.07 113.70 113.29 1ws4 s SER 18 Ca 0.30 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 1ws4 s SER 18 Cb 0.07 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1ws4 s SER 18 CO 0.06 -0.26 0.32 -0.72 0.98 0.00 0.00 173.24 173.62 1ws4 s TYR 19 N -1.92 0.94 -0.04 5.02 1.13 -0.80 0.17 117.35 121.85 1ws4 s TYR 19 Ca -0.05 -1.18 -0.01 0.00 -1.41 0.00 0.00 57.07 54.42 1ws4 s TYR 19 Cb -0.06 -0.24 0.03 0.00 -1.10 0.00 0.00 41.96 40.58 1ws4 s TYR 19 CO -0.01 -0.87 0.04 1.21 -2.51 0.00 0.00 175.55 173.41 1ws4 s ASN 20 N -3.15 1.07 0.00 -0.18 3.84 -1.00 0.37 114.94 115.88 1ws4 s ASN 20 Ca 0.32 0.03 0.02 0.00 0.21 0.00 0.00 52.86 53.45 1ws4 s ASN 20 Cb 0.03 -0.20 0.10 0.00 -0.55 0.00 0.00 41.25 40.63 1ws4 s ASN 20 CO 0.14 -0.21 0.74 0.29 -2.79 0.00 0.00 177.10 175.26 1ws4 n LYS 21 N 5.07 0.04 -0.00 0.43 5.02 -1.26 -1.72 118.16 125.74 1ws4 n LYS 21 Ca -0.08 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.38 1ws4 n LYS 21 Cb 0.50 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1ws4 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ws4 n GLU 22 N -1.15 4.14 0.00 1.97 1.02 -1.26 -4.67 120.64 120.69 1ws4 n GLU 22 Ca 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ws4 n GLU 22 Cb 0.01 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1ws4 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ws4 n THR 23 N -1.24 0.00 -2.63 2.62 -2.24 -0.70 -5.08 114.28 105.01 1ws4 n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ws4 n THR 23 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1ws4 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ws4 n ALA 24 N -3.00 0.00 -1.76 6.98 0.00 -1.22 -4.65 120.51 116.85 1ws4 n ALA 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ws4 n ALA 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ws4 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ws4 s ILE 25 N -2.96 3.44 0.00 0.00 1.01 -1.00 -2.37 121.20 119.32 1ws4 s ILE 25 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.02 1ws4 s ILE 25 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ws4 s ILE 25 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1ws4 n GLY 26 N 0.97 0.13 3.86 6.18 0.00 0.13 -1.60 105.19 114.85 1ws4 n GLY 26 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ws4 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws4 s ASP 27 N -0.05 6.48 -0.19 1.61 1.01 -1.25 -4.26 116.67 120.03 1ws4 s ASP 27 Ca 0.00 1.44 -0.08 0.00 0.71 0.00 0.00 52.55 54.62 1ws4 s ASP 27 Cb 0.00 -2.46 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1ws4 s ASP 27 CO 0.00 -0.64 0.42 0.12 0.21 0.00 0.00 175.17 175.27 1ws4 s PHE 28 N -2.76 -0.72 -0.06 4.23 5.36 -0.15 -2.22 117.98 121.65 1ws4 s PHE 28 Ca 0.56 1.44 -0.07 0.00 -0.96 0.00 0.00 56.93 57.90 1ws4 s PHE 28 Cb -0.10 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 1ws4 s PHE 28 CO 0.38 -0.43 0.20 -1.14 -1.46 0.00 0.00 175.22 172.77 1ws4 s GLN 29 N 2.13 0.29 -0.01 10.12 -0.44 0.73 -1.73 119.66 130.75 1ws4 s GLN 29 Ca -0.05 0.16 0.04 0.00 -2.50 0.00 0.00 55.36 53.02 1ws4 s GLN 29 Cb -0.10 0.14 -0.01 0.00 -1.64 0.00 0.00 33.01 31.39 1ws4 s GLN 29 CO -0.13 -0.05 -0.14 0.08 0.50 0.00 0.00 175.29 175.55 1ws4 s VAL 30 N -0.17 1.10 -0.37 1.34 1.01 -1.26 -0.24 120.40 121.81 1ws4 s VAL 30 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1ws4 s VAL 30 Cb -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1ws4 s VAL 30 CO 0.01 0.31 0.21 -0.69 0.00 0.00 0.00 175.10 174.94 1ws4 s VAL 31 N -0.32 4.69 0.47 2.92 1.01 0.88 -0.77 120.40 129.29 1ws4 s VAL 31 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1ws4 s VAL 31 Cb -0.05 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1ws4 s VAL 31 CO -0.00 -0.19 0.67 -0.31 0.00 0.00 0.00 175.10 175.26 1ws4 s TYR 32 N 1.58 3.02 -0.14 5.22 1.51 0.54 -1.02 117.35 128.07 1ws4 s TYR 32 Ca 0.03 -0.00 -0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1ws4 s TYR 32 Cb -0.19 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 1ws4 s TYR 32 CO 0.07 -0.52 0.12 0.34 -1.11 0.00 0.00 175.55 174.45 1ws4 s ASP 33 N -4.31 6.18 -0.38 2.29 2.15 -0.39 0.63 116.67 122.85 1ws4 s ASP 33 Ca 0.52 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.88 1ws4 s ASP 33 Cb -0.10 -2.00 0.12 0.00 -0.30 0.00 0.00 42.92 40.63 1ws4 s ASP 33 CO 0.37 0.35 0.16 -0.22 -0.17 0.00 0.00 175.17 175.65 1ws4 s LEU 34 N -0.65 2.92 -1.42 -1.34 2.96 0.22 -1.99 118.68 119.38 1ws4 s LEU 34 Ca 0.13 -2.23 -0.08 0.00 -0.22 0.00 0.00 54.13 51.73 1ws4 s LEU 34 Cb -0.12 -1.10 0.04 0.00 0.50 0.00 0.00 46.19 45.52 1ws4 s LEU 34 CO 0.02 -0.33 0.91 0.59 -1.32 0.00 0.00 176.35 176.22 1ws4 n ASN 35 N 4.09 -3.58 0.00 3.68 5.03 -1.26 -2.19 115.26 121.03 1ws4 n ASN 35 Ca 0.04 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1ws4 n ASN 35 Cb 0.38 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 35.01 1ws4 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ws4 n GLY 36 N -1.67 0.82 3.40 7.41 0.00 -1.26 -5.06 105.19 108.85 1ws4 n GLY 36 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1ws4 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ws4 s SER 37 N -2.43 3.49 0.34 1.61 0.01 -0.93 -5.11 113.70 110.67 1ws4 s SER 37 Ca 0.00 -0.55 -0.28 0.00 1.31 0.00 0.00 55.95 56.43 1ws4 s SER 37 Cb 0.00 -0.42 -0.10 0.00 0.21 0.00 0.00 66.02 65.71 1ws4 s SER 37 CO 0.00 0.24 1.28 -2.84 0.41 0.00 0.00 173.24 172.34 1ws4 s PRO 38 N -1.49 4.30 -0.17 12.44 0.02 -1.26 0.69 135.00 149.52 1ws4 s PRO 38 Ca 0.14 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1ws4 s PRO 38 Cb -0.10 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.46 1ws4 s PRO 38 CO 0.04 -0.22 -0.02 -0.47 -0.33 0.00 0.00 177.00 176.01 1ws4 s TYR 39 N -1.18 1.43 -0.41 6.54 6.14 0.21 -4.79 117.35 125.29 1ws4 s TYR 39 Ca 0.50 -0.97 -0.29 0.00 0.64 0.00 0.00 57.07 56.95 1ws4 s TYR 39 Cb -0.38 -1.19 0.02 0.00 0.42 0.00 0.00 41.96 40.83 1ws4 s TYR 39 CO 0.51 -0.60 1.15 0.08 0.64 0.00 0.00 175.55 177.33 1ws4 s VAL 40 N 1.72 4.28 0.68 3.14 1.01 -1.26 -0.34 120.40 129.63 1ws4 s VAL 40 Ca -0.00 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1ws4 s VAL 40 Cb -0.16 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1ws4 s VAL 40 CO -0.07 -0.78 1.06 -0.83 0.00 0.00 0.00 175.10 174.48 1ws4 s GLY 41 N 2.33 1.75 0.62 4.51 0.00 0.05 -4.98 107.32 111.60 1ws4 s GLY 41 Ca 0.49 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 45.17 1ws4 s GLY 41 CO 0.26 0.46 1.30 1.20 0.00 0.00 0.00 173.10 176.32 1ws4 s GLN 42 N -4.86 2.73 -0.22 2.90 -0.21 -1.26 -4.58 119.66 114.17 1ws4 s GLN 42 Ca 0.59 2.07 -0.23 0.00 0.02 0.00 0.00 55.36 57.81 1ws4 s GLN 42 Cb -0.15 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1ws4 s GLN 42 CO 0.52 -1.46 0.77 1.21 -2.12 0.00 0.00 175.29 174.20 1ws4 s ASN 43 N -1.32 6.80 -0.42 5.90 2.47 -1.26 -4.54 114.94 122.57 1ws4 s ASN 43 Ca 0.80 0.99 -0.15 0.00 0.42 0.00 0.00 52.86 54.92 1ws4 s ASN 43 Cb -0.37 -2.41 0.04 0.00 -1.45 0.00 0.00 41.25 37.05 1ws4 s ASN 43 CO 0.41 -0.42 0.32 -1.00 -3.72 0.00 0.00 177.10 172.68 1ws4 s HIS 44 N 2.44 3.24 0.11 0.43 3.76 -0.71 -5.01 115.29 119.55 1ws4 s HIS 44 Ca 0.33 -0.73 0.05 0.00 -0.15 0.00 0.00 55.06 54.57 1ws4 s HIS 44 Cb -0.16 -2.74 -0.04 0.00 1.11 0.00 0.00 32.58 30.75 1ws4 s HIS 44 CO 0.09 -0.66 0.03 0.15 -0.85 0.00 0.00 174.74 173.51 1ws4 s LYS 45 N 1.66 2.63 0.74 1.40 1.02 -1.26 -0.98 119.74 124.95 1ws4 s LYS 45 Ca 0.04 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.05 1ws4 s LYS 45 Cb -0.21 -2.56 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1ws4 s LYS 45 CO 0.09 0.53 1.12 0.45 -0.92 0.00 0.00 175.35 176.61 1ws4 s SER 46 N -2.51 4.52 0.16 2.83 0.15 -1.26 -4.85 113.70 112.73 1ws4 s SER 46 Ca 0.27 1.98 0.22 0.00 0.70 0.00 0.00 55.95 59.13 1ws4 s SER 46 Cb -0.11 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.54 1ws4 s SER 46 CO 0.20 -2.03 1.68 0.49 1.20 0.00 0.00 173.24 174.78 1ws4 n PHE 47 N -3.11 0.55 -4.64 3.44 3.72 0.02 -4.82 117.46 112.62 1ws4 n PHE 47 Ca 0.10 0.20 -0.30 0.00 -0.05 0.00 0.00 57.45 57.40 1ws4 n PHE 47 Cb 0.52 -0.82 -0.07 0.00 -0.94 0.00 0.00 39.48 38.17 1ws4 n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ws4 s ILE 48 N -3.17 0.73 0.29 4.37 -4.36 -1.26 -5.03 121.20 112.76 1ws4 s ILE 48 Ca 0.07 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1ws4 s ILE 48 Cb 0.11 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.65 1ws4 s ILE 48 CO 0.41 0.00 0.02 0.35 0.24 0.00 0.00 174.94 175.97 1ws4 n THR 49 N -1.12 0.00 0.00 8.37 -2.24 -1.26 -4.91 114.28 113.12 1ws4 n THR 49 Ca -0.13 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1ws4 n THR 49 Cb 0.66 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1ws4 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws4 n GLY 50 N 1.11 1.08 3.93 3.38 0.00 -1.26 -5.11 105.19 108.32 1ws4 n GLY 50 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1ws4 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws4 s PHE 51 N -2.00 3.48 -0.29 1.61 0.08 -1.26 -4.85 117.98 114.75 1ws4 s PHE 51 Ca 0.00 0.39 -0.16 0.00 0.12 0.00 0.00 56.93 57.28 1ws4 s PHE 51 Cb 0.00 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1ws4 s PHE 51 CO 0.00 0.28 0.42 0.99 -0.10 0.00 0.00 175.22 176.80 1ws4 s THR 52 N -2.03 5.13 0.38 0.64 2.01 0.16 -4.82 115.64 117.11 1ws4 s THR 52 Ca 0.40 0.51 -0.26 0.00 0.31 0.00 0.00 61.69 62.65 1ws4 s THR 52 Cb -0.10 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1ws4 s THR 52 CO 0.31 0.05 1.11 -2.84 -0.69 0.00 0.00 174.62 172.56 1ws4 s PRO 53 N 2.16 4.20 -0.02 4.92 0.02 -1.26 -1.90 135.00 143.12 1ws4 s PRO 53 Ca 0.16 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.90 1ws4 s PRO 53 Cb -0.16 -2.72 0.01 0.00 0.02 0.00 0.00 34.50 31.66 1ws4 s PRO 53 CO 0.11 -0.16 -0.01 0.08 -0.33 0.00 0.00 177.00 176.69 1ws4 s VAL 54 N -1.46 0.20 -0.15 3.83 1.01 0.90 -4.97 120.40 119.75 1ws4 s VAL 54 Ca 0.55 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1ws4 s VAL 54 Cb -0.28 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1ws4 s VAL 54 CO 0.35 0.11 -0.18 -0.75 0.00 0.00 0.00 175.10 174.63 1ws4 s LYS 55 N 0.54 3.12 -0.40 2.72 2.20 -1.26 -1.82 119.74 124.84 1ws4 s LYS 55 Ca -0.05 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1ws4 s LYS 55 Cb -0.08 -2.55 0.10 0.00 -1.51 0.00 0.00 37.83 33.79 1ws4 s LYS 55 CO -0.01 -0.02 0.19 0.42 -0.36 0.00 0.00 175.35 175.57 1ws4 s ILE 56 N 0.88 3.35 -0.41 5.43 1.01 0.72 -4.99 121.20 127.19 1ws4 s ILE 56 Ca -0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 60.65 58.52 1ws4 s ILE 56 Cb -0.15 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1ws4 s ILE 56 CO -0.02 -0.62 0.37 -0.44 0.00 0.00 0.00 174.94 174.23 1ws4 s SER 57 N 1.81 6.15 0.25 3.58 0.01 -1.26 -0.76 113.70 123.48 1ws4 s SER 57 Ca 0.06 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 1ws4 s SER 57 Cb -0.23 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1ws4 s SER 57 CO -0.03 -0.51 0.69 -0.76 0.41 0.00 0.00 173.24 173.04 1ws4 s LEU 58 N 1.91 4.22 -1.37 2.44 1.43 -0.29 -4.97 118.68 122.05 1ws4 s LEU 58 Ca 0.09 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1ws4 s LEU 58 Cb -0.18 -3.75 0.10 0.00 0.03 0.00 0.00 46.19 42.39 1ws4 s LEU 58 CO 0.12 -0.06 2.10 -0.67 0.23 0.00 0.00 176.35 178.07 1ws4 n ASP 59 N 0.23 5.12 -4.78 2.29 2.03 -1.26 -4.84 116.55 115.34 1ws4 n ASP 59 Ca -0.00 -2.99 -0.41 0.00 0.52 0.00 0.00 54.79 51.91 1ws4 n ASP 59 Cb 0.52 -1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 1ws4 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ws4 s PHE 60 N 1.32 2.71 -2.81 -0.67 5.36 -1.26 -1.26 117.98 121.37 1ws4 s PHE 60 Ca 0.45 1.22 0.24 0.00 -0.96 0.00 0.00 56.93 57.87 1ws4 s PHE 60 Cb 0.12 -3.94 0.26 0.00 -0.34 0.00 0.00 43.02 39.12 1ws4 s PHE 60 CO -0.04 -2.73 1.29 -0.35 -1.46 0.00 0.00 175.22 171.93 1ws4 n PRO 61 N 0.61 2.35 0.19 10.12 -0.04 -1.26 -4.86 135.00 142.11 1ws4 n PRO 61 Ca 0.01 -2.02 0.04 0.00 -0.04 0.00 0.00 63.50 61.49 1ws4 n PRO 61 Cb 0.40 -1.47 0.39 0.00 -0.04 0.00 0.00 33.50 32.78 1ws4 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ws4 h SER 62 N 4.59 0.00 -3.28 3.54 4.64 -1.84 -3.41 113.55 117.79 1ws4 h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ws4 h SER 62 Cb 0.99 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.91 1ws4 h SER 62 CO 0.00 0.36 -0.59 -0.70 -0.87 0.00 0.00 176.83 175.02 1ws4 s GLU 63 N -4.05 3.81 0.04 4.77 2.12 -0.39 -4.94 118.70 120.07 1ws4 s GLU 63 Ca -0.02 -0.39 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 1ws4 s GLU 63 Cb 0.13 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.44 1ws4 s GLU 63 CO 0.70 0.31 0.28 1.52 -0.54 0.00 0.00 175.26 177.53 1ws4 s TYR 64 N 0.23 -0.08 0.12 5.30 -0.85 -1.26 -4.30 117.35 116.52 1ws4 s TYR 64 Ca 0.02 -0.05 -0.31 0.00 -0.52 0.00 0.00 57.07 56.21 1ws4 s TYR 64 Cb -0.13 0.07 -0.08 0.00 0.38 0.00 0.00 41.96 42.20 1ws4 s TYR 64 CO 0.01 -0.48 1.45 0.42 -1.52 0.00 0.00 175.55 175.44 1ws4 s ILE 65 N -2.43 3.13 -0.03 -3.49 -1.09 -1.26 -2.62 121.20 113.41 1ws4 s ILE 65 Ca -0.06 0.79 0.10 0.00 -2.23 0.00 0.00 60.65 59.25 1ws4 s ILE 65 Cb -0.01 -3.51 -0.16 0.00 -1.58 0.00 0.00 42.46 37.20 1ws4 s ILE 65 CO -0.03 0.05 0.24 0.23 -1.23 0.00 0.00 174.94 174.20 1ws4 n MET 66 N 4.15 0.43 -3.65 2.79 2.81 0.11 -4.74 117.12 119.01 1ws4 n MET 66 Ca 0.12 -0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1ws4 n MET 66 Cb 0.41 -1.24 -0.08 0.00 -0.71 0.00 0.00 33.22 31.61 1ws4 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ws4 s GLU 67 N -2.70 0.73 -0.09 0.03 2.12 -0.91 -0.49 118.70 117.39 1ws4 s GLU 67 Ca -0.04 0.95 0.04 0.00 0.36 0.00 0.00 54.97 56.29 1ws4 s GLU 67 Cb 0.07 0.31 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 1ws4 s GLU 67 CO 0.43 -0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 174.90 1ws4 s VAL 68 N 0.63 1.93 0.15 3.70 1.01 -0.94 -1.11 120.40 125.76 1ws4 s VAL 68 Ca -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ws4 s VAL 68 Cb -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1ws4 s VAL 68 CO -0.03 0.53 0.12 -0.94 0.00 0.00 0.00 175.10 174.78 1ws4 s SER 69 N 0.28 0.23 0.00 3.32 1.04 -0.72 0.72 113.70 118.57 1ws4 s SER 69 Ca -0.15 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1ws4 s SER 69 Cb -0.17 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1ws4 s SER 69 CO 0.07 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1ws4 n GLY 70 N -0.14 -0.67 2.91 7.32 0.00 -0.52 -0.02 105.19 114.07 1ws4 n GLY 70 Ca -0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1ws4 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws4 s TYR 71 N -3.00 0.15 0.14 1.61 2.02 -0.86 -1.85 117.35 115.56 1ws4 s TYR 71 Ca 0.00 -0.14 0.11 0.00 -0.37 0.00 0.00 57.07 56.67 1ws4 s TYR 71 Cb 0.00 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1ws4 s TYR 71 CO 0.00 -0.04 -0.27 0.95 -1.57 0.00 0.00 175.55 174.62 1ws4 s THR 72 N -0.37 2.27 0.01 -0.71 -4.23 -0.36 -0.43 115.64 111.82 1ws4 s THR 72 Ca -0.03 -1.79 -0.28 0.00 -1.18 0.00 0.00 61.69 58.40 1ws4 s THR 72 Cb -0.03 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.90 1ws4 s THR 72 CO -0.00 0.07 1.25 -0.83 -0.54 0.00 0.00 174.62 174.56 1ws4 s GLY 73 N -2.13 -0.19 -0.02 3.99 0.00 -0.40 -0.46 107.32 108.10 1ws4 s GLY 73 Ca 0.15 0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.84 1ws4 s GLY 73 CO 0.06 3.36 0.71 -1.31 0.00 0.00 0.00 173.10 175.92 1ws4 s ASN 74 N -3.48 7.06 -0.06 1.64 -0.87 -1.26 -1.14 114.94 116.84 1ws4 s ASN 74 Ca 0.23 1.27 -0.02 0.00 -1.57 0.00 0.00 52.86 52.78 1ws4 s ASN 74 Cb 0.01 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 38.84 1ws4 s ASN 74 CO -0.01 -0.04 0.03 -0.69 -2.57 0.00 0.00 177.10 173.82 1ws4 s VAL 75 N 0.38 0.15 -1.48 1.60 1.01 0.18 -4.83 120.40 117.42 1ws4 s VAL 75 Ca 0.37 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 1ws4 s VAL 75 Cb -0.19 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.85 1ws4 s VAL 75 CO 0.20 0.22 0.30 -0.24 0.00 0.00 0.00 175.10 175.58 1ws4 n SER 76 N 5.20 -5.23 0.00 3.32 2.88 -1.26 -1.57 113.62 116.95 1ws4 n SER 76 Ca -0.06 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1ws4 n SER 76 Cb 0.50 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1ws4 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ws4 n GLY 77 N -1.18 0.74 3.42 0.46 0.00 -1.26 -5.04 105.19 102.33 1ws4 n GLY 77 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1ws4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws4 s TYR 78 N -2.75 2.44 -0.23 1.61 2.02 -0.61 -5.10 117.35 114.74 1ws4 s TYR 78 Ca 0.00 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1ws4 s TYR 78 Cb 0.00 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1ws4 s TYR 78 CO 0.00 0.28 0.49 0.08 -1.57 0.00 0.00 175.55 174.83 1ws4 s VAL 79 N -0.98 5.11 0.27 0.71 1.01 -1.26 -0.65 120.40 124.61 1ws4 s VAL 79 Ca 0.15 0.87 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1ws4 s VAL 79 Cb -0.10 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1ws4 s VAL 79 CO 0.06 0.15 0.18 0.68 0.00 0.00 0.00 175.10 176.17 1ws4 s VAL 80 N 1.89 0.10 -0.40 2.92 -7.23 -0.29 -4.78 120.40 112.61 1ws4 s VAL 80 Ca 0.22 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.16 1ws4 s VAL 80 Cb -0.15 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1ws4 s VAL 80 CO 0.09 0.00 0.77 -0.69 -0.31 0.00 0.00 175.10 174.96 1ws4 s VAL 81 N -3.79 4.71 -0.17 1.32 1.01 -0.12 -1.28 120.40 122.08 1ws4 s VAL 81 Ca 0.39 0.66 0.19 0.00 0.00 0.00 0.00 61.98 63.21 1ws4 s VAL 81 Cb 0.05 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1ws4 s VAL 81 CO 0.18 -0.55 0.90 0.54 0.00 0.00 0.00 175.10 176.18 1ws4 n ARG 82 N 6.51 0.62 -3.67 2.72 1.74 0.43 -2.37 116.66 122.64 1ws4 n ARG 82 Ca 0.02 0.18 -0.15 0.00 -0.77 0.00 0.00 57.85 57.13 1ws4 n ARG 82 Cb 0.48 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1ws4 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ws4 s SER 83 N -5.59 -0.37 0.01 0.55 0.15 -1.10 -1.57 113.70 105.78 1ws4 s SER 83 Ca -0.02 0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1ws4 s SER 83 Cb 0.09 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1ws4 s SER 83 CO 0.80 -0.52 -0.03 -0.76 1.20 0.00 0.00 173.24 173.94 1ws4 s LEU 84 N -1.29 2.13 -0.02 3.45 1.43 -0.90 -2.02 118.68 121.45 1ws4 s LEU 84 Ca -0.12 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ws4 s LEU 84 Cb -0.03 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.17 1ws4 s LEU 84 CO 0.06 -0.13 -0.03 -0.89 0.23 0.00 0.00 176.35 175.60 1ws4 s THR 85 N -0.75 0.33 -0.19 5.49 2.01 0.98 -1.30 115.64 122.21 1ws4 s THR 85 Ca -0.07 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1ws4 s THR 85 Cb -0.05 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1ws4 s THR 85 CO -0.00 0.15 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.54 1ws4 s PHE 86 N 0.55 2.81 -0.20 4.92 0.08 0.48 -1.75 117.98 124.87 1ws4 s PHE 86 Ca -0.06 -1.51 -0.04 0.00 0.12 0.00 0.00 56.93 55.43 1ws4 s PHE 86 Cb -0.09 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1ws4 s PHE 86 CO -0.01 -0.76 -0.03 0.21 -0.10 0.00 0.00 175.22 174.54 1ws4 s LYS 87 N 1.31 3.51 0.39 0.44 2.20 -0.26 0.56 119.74 127.89 1ws4 s LYS 87 Ca 0.05 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 1ws4 s LYS 87 Cb -0.13 -3.00 0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1ws4 s LYS 87 CO -0.11 -0.03 0.35 0.25 -0.36 0.00 0.00 175.35 175.45 1ws4 n THR 88 N 4.33 0.00 1.49 3.43 -2.24 0.73 0.07 114.28 122.08 1ws4 n THR 88 Ca -0.18 -1.50 0.13 0.00 -2.27 0.00 0.00 64.05 60.24 1ws4 n THR 88 Cb 0.52 -0.28 0.74 0.00 -2.10 0.00 0.00 70.33 69.21 1ws4 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ws4 n ASN 89 N -2.03 0.00 0.00 3.42 6.94 -1.08 -3.80 115.26 118.71 1ws4 n ASN 89 Ca 0.02 -0.46 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 1ws4 n ASN 89 Cb 0.44 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1ws4 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ws4 n LYS 90 N -1.15 3.21 -3.86 -3.83 5.02 -1.26 -5.06 118.16 111.23 1ws4 n LYS 90 Ca 0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1ws4 n LYS 90 Cb 0.16 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1ws4 n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ws4 s LYS 91 N -1.93 1.65 -0.18 1.97 2.20 -1.25 -5.15 119.74 117.06 1ws4 s LYS 91 Ca 0.00 -1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 54.58 1ws4 s LYS 91 Cb 0.00 0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1ws4 s LYS 91 CO 0.00 -0.73 -0.09 0.99 -0.36 0.00 0.00 175.35 175.15 1ws4 s THR 92 N -3.93 3.12 -0.28 3.43 2.01 -1.26 -0.19 115.64 118.53 1ws4 s THR 92 Ca 0.13 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1ws4 s THR 92 Cb -0.04 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1ws4 s THR 92 CO 0.05 0.48 0.07 -0.31 -0.69 0.00 0.00 174.62 174.22 1ws4 s TYR 93 N 0.99 3.12 0.00 4.92 1.51 0.19 -4.99 117.35 123.10 1ws4 s TYR 93 Ca -0.01 -0.86 0.00 0.00 -1.01 0.00 0.00 57.07 55.19 1ws4 s TYR 93 Cb -0.15 -2.25 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1ws4 s TYR 93 CO -0.01 -0.53 0.00 0.41 -1.11 0.00 0.00 175.55 174.31 1ws4 n GLY 94 N 4.88 -0.19 3.77 0.71 0.00 -1.26 -0.39 105.19 112.71 1ws4 n GLY 94 Ca -0.15 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.27 1ws4 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ws4 s PRO 95 N 0.00 3.35 -0.20 1.61 0.04 -1.26 -4.98 135.00 133.56 1ws4 s PRO 95 Ca 0.00 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ws4 s PRO 95 Cb 0.00 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1ws4 s PRO 95 CO 0.00 -0.86 -0.14 0.71 0.04 0.00 0.00 177.00 176.75 1ws4 s TYR 96 N -1.74 2.89 0.00 0.56 2.02 -0.42 -4.97 117.35 115.68 1ws4 s TYR 96 Ca 0.73 -1.48 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1ws4 s TYR 96 Cb -0.25 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1ws4 s TYR 96 CO 0.28 -0.73 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 1ws4 n GLY 97 N 4.66 -0.30 3.58 0.71 0.00 -1.26 -2.11 105.19 110.47 1ws4 n GLY 97 Ca -0.19 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1ws4 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws4 s VAL 98 N 0.00 5.16 -1.40 1.61 1.01 -0.61 -4.86 120.40 121.31 1ws4 s VAL 98 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1ws4 s VAL 98 Cb 0.00 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1ws4 s VAL 98 CO 0.00 0.02 2.32 0.35 0.00 0.00 0.00 175.10 177.79 1ws4 n THR 99 N 5.20 4.38 -3.88 3.92 -2.24 -1.26 -3.89 114.28 116.51 1ws4 n THR 99 Ca -0.08 -3.69 -0.12 0.00 -2.27 0.00 0.00 64.05 57.89 1ws4 n THR 99 Cb 0.50 -2.39 -0.14 0.00 -2.10 0.00 0.00 70.33 66.20 1ws4 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ws4 s SER 100 N 1.51 0.02 0.00 3.42 0.15 -1.26 -5.09 113.70 112.45 1ws4 s SER 100 Ca 0.51 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1ws4 s SER 100 Cb 0.15 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1ws4 s SER 100 CO -0.06 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1ws4 n GLY 101 N 2.96 0.06 3.50 9.45 0.00 -1.26 -4.57 105.19 115.33 1ws4 n GLY 101 Ca -0.13 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1ws4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws4 s THR 102 N -0.27 4.68 0.70 2.61 2.01 0.39 -4.91 115.64 120.85 1ws4 s THR 102 Ca 0.00 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1ws4 s THR 102 Cb 0.00 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1ws4 s THR 102 CO 0.00 0.29 1.07 -2.16 -0.69 0.00 0.00 174.62 173.13 1ws4 s PRO 103 N 1.67 2.90 0.00 4.92 0.04 -1.26 -1.22 135.00 142.05 1ws4 s PRO 103 Ca 0.06 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 1ws4 s PRO 103 Cb -0.16 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1ws4 s PRO 103 CO 0.06 -1.07 0.45 -0.59 0.04 0.00 0.00 177.00 175.89 1ws4 s PHE 104 N -3.16 -0.34 -0.22 0.56 -0.12 -0.77 -4.90 117.98 109.04 1ws4 s PHE 104 Ca 0.58 0.45 -0.21 0.00 -0.05 0.00 0.00 56.93 57.71 1ws4 s PHE 104 Cb -0.13 0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.55 1ws4 s PHE 104 CO 0.54 -0.53 0.59 0.54 -0.05 0.00 0.00 175.22 176.31 1ws4 s ASN 105 N -1.60 -0.61 -0.43 1.98 6.03 -1.26 -1.44 114.94 117.61 1ws4 s ASN 105 Ca -0.09 1.17 0.03 0.00 -1.03 0.00 0.00 52.86 52.93 1ws4 s ASN 105 Cb -0.02 1.18 0.12 0.00 -3.03 0.00 0.00 41.25 39.50 1ws4 s ASN 105 CO 0.03 -0.21 0.20 -0.22 -2.03 0.00 0.00 177.10 174.86 1ws4 s LEU 106 N 0.27 3.52 0.20 3.54 2.96 0.22 -4.98 118.68 124.40 1ws4 s LEU 106 Ca -0.00 -2.55 -0.26 0.00 -0.22 0.00 0.00 54.13 51.09 1ws4 s LEU 106 Cb -0.04 -1.31 -0.08 0.00 0.50 0.00 0.00 46.19 45.25 1ws4 s LEU 106 CO 0.01 -0.29 0.82 -2.84 -1.32 0.00 0.00 176.35 172.73 1ws4 s PRO 107 N 0.39 4.63 -0.21 0.98 0.02 -1.26 -2.22 135.00 137.33 1ws4 s PRO 107 Ca 0.15 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.39 1ws4 s PRO 107 Cb -0.23 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1ws4 s PRO 107 CO -0.04 0.54 -0.09 0.42 -0.33 0.00 0.00 177.00 177.49 1ws4 s ILE 108 N -1.20 2.95 -0.06 2.83 1.09 0.35 -4.98 121.20 122.18 1ws4 s ILE 108 Ca 0.38 -0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 59.20 1ws4 s ILE 108 Cb -0.23 -2.32 -0.29 0.00 -1.06 0.00 0.00 42.46 38.55 1ws4 s ILE 108 CO 0.27 0.45 0.62 -0.08 -0.10 0.00 0.00 174.94 176.10 1ws4 h GLU 109 N 8.06 0.33 -2.90 2.79 4.81 -1.97 -3.46 114.58 122.24 1ws4 h GLU 109 Ca -0.42 -0.57 -0.21 0.00 -0.13 0.00 0.00 59.36 58.03 1ws4 h GLU 109 Cb 1.15 0.21 -0.31 0.00 0.63 0.00 0.00 28.75 30.43 1ws4 h GLU 109 CO 0.61 1.24 -0.51 1.21 -0.73 0.00 0.00 179.01 180.83 1ws4 s ASN 110 N -7.15 0.14 0.00 1.04 2.47 -1.26 -5.13 114.94 105.06 1ws4 s ASN 110 Ca -0.16 0.58 0.00 0.00 0.42 0.00 0.00 52.86 53.70 1ws4 s ASN 110 Cb 0.06 0.62 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 1ws4 s ASN 110 CO 0.83 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.61 1ws4 n GLY 111 N 4.99 1.26 3.05 1.21 0.00 -1.26 -5.00 105.19 109.44 1ws4 n GLY 111 Ca -0.12 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 1ws4 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ws4 s LEU 112 N 0.00 1.85 -0.11 0.99 1.43 0.71 -4.97 118.68 118.59 1ws4 s LEU 112 Ca 0.00 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.53 1ws4 s LEU 112 Cb 0.00 0.42 -0.03 0.00 0.03 0.00 0.00 46.19 46.61 1ws4 s LEU 112 CO 0.00 -0.33 0.79 -0.63 0.23 0.00 0.00 176.35 176.41 1ws4 s ILE 113 N -1.38 4.95 -0.03 -0.59 1.09 -1.26 -1.19 121.20 122.78 1ws4 s ILE 113 Ca -0.15 1.60 0.05 0.00 -1.10 0.00 0.00 60.65 61.04 1ws4 s ILE 113 Cb -0.08 -4.11 0.07 0.00 -1.06 0.00 0.00 42.46 37.27 1ws4 s ILE 113 CO 0.00 0.14 0.93 1.33 -0.10 0.00 0.00 174.94 177.25 1ws4 n VAL 114 N 4.23 0.88 0.00 2.92 0.24 0.04 -4.53 118.33 122.11 1ws4 n VAL 114 Ca 0.02 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1ws4 n VAL 114 Cb 0.50 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1ws4 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ws4 n GLY 115 N -0.56 0.89 3.07 7.63 0.00 -1.24 0.19 105.19 115.16 1ws4 n GLY 115 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 1ws4 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws4 s PHE 116 N -2.00 0.62 0.11 1.61 0.08 -1.25 -1.15 117.98 116.00 1ws4 s PHE 116 Ca 0.00 -0.64 -0.13 0.00 0.12 0.00 0.00 56.93 56.28 1ws4 s PHE 116 Cb 0.00 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.09 1ws4 s PHE 116 CO 0.00 -0.15 0.31 -1.59 -0.10 0.00 0.00 175.22 173.69 1ws4 s LYS 117 N -2.24 0.97 0.00 0.44 -2.85 -0.98 -1.33 119.74 113.75 1ws4 s LYS 117 Ca -0.05 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 1ws4 s LYS 117 Cb -0.05 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1ws4 s LYS 117 CO -0.02 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.49 1ws4 n GLY 118 N -0.14 -0.70 3.46 0.59 0.00 -0.31 -0.48 105.19 107.61 1ws4 n GLY 118 Ca -0.16 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1ws4 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws4 s SER 119 N -4.00 -0.57 -0.04 1.61 0.15 -0.75 -0.84 113.70 109.27 1ws4 s SER 119 Ca 0.00 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1ws4 s SER 119 Cb 0.00 1.06 0.03 0.00 -1.71 0.00 0.00 66.02 65.39 1ws4 s SER 119 CO 0.00 -0.24 -0.01 -0.63 1.20 0.00 0.00 173.24 173.56 1ws4 s ILE 120 N 0.09 0.28 0.00 6.45 1.01 -0.74 -0.22 121.20 128.06 1ws4 s ILE 120 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ws4 s ILE 120 Cb -0.04 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1ws4 s ILE 120 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1ws4 n GLY 121 N 4.24 1.27 0.15 6.18 0.00 -1.26 -0.59 105.19 115.19 1ws4 n GLY 121 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1ws4 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ws4 h TYR 122 N 0.00 0.36 -4.02 1.61 0.99 -1.95 0.10 116.97 114.06 1ws4 h TYR 122 Ca 0.00 -0.16 -0.37 0.00 2.00 0.00 0.00 58.73 60.20 1ws4 h TYR 122 Cb 0.00 -0.05 -0.14 0.00 1.00 0.00 0.00 36.73 37.54 1ws4 h TYR 122 CO 0.00 0.91 -0.58 -1.58 -0.00 0.00 0.00 178.16 176.91 1ws4 s TRP 123 N -3.50 1.52 -0.39 4.88 0.51 -1.26 -4.46 118.94 116.23 1ws4 s TRP 123 Ca -0.04 -1.32 -0.28 0.00 -2.12 0.00 0.00 56.10 52.34 1ws4 s TRP 123 Cb 0.11 -0.82 -0.01 0.00 -0.81 0.00 0.00 33.47 31.94 1ws4 s TRP 123 CO 0.82 -0.49 1.72 -1.17 -0.51 0.00 0.00 176.95 177.32 1ws4 s LEU 124 N -3.32 3.49 0.08 2.99 2.96 -0.63 -4.33 118.68 119.93 1ws4 s LEU 124 Ca 0.37 1.05 -0.17 0.00 -0.22 0.00 0.00 54.13 55.16 1ws4 s LEU 124 Cb 0.06 -3.37 -0.09 0.00 0.50 0.00 0.00 46.19 43.29 1ws4 s LEU 124 CO 0.16 -1.75 1.45 0.44 -1.32 0.00 0.00 176.35 175.33 1ws4 h ASP 125 N 12.71 0.54 -5.00 3.68 3.32 -0.91 -0.30 116.42 130.47 1ws4 h ASP 125 Ca -0.31 -0.40 0.18 0.00 0.02 0.00 0.00 57.03 56.52 1ws4 h ASP 125 Cb 1.15 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 1ws4 h ASP 125 CO 1.07 0.82 0.57 -0.72 -1.72 0.00 0.00 179.24 179.27 1ws4 s TYR 126 N -4.63 -0.20 0.08 4.55 -0.85 -1.24 -4.16 117.35 110.90 1ws4 s TYR 126 Ca -0.13 0.02 -0.18 0.00 -0.52 0.00 0.00 57.07 56.26 1ws4 s TYR 126 Cb 0.08 0.57 0.04 0.00 0.38 0.00 0.00 41.96 43.03 1ws4 s TYR 126 CO 0.78 -0.57 0.43 -0.59 -1.52 0.00 0.00 175.55 174.07 1ws4 s PHE 127 N -3.01 -0.27 0.18 -3.49 -0.71 -1.26 -1.80 117.98 107.63 1ws4 s PHE 127 Ca 0.09 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 1ws4 s PHE 127 Cb -0.00 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1ws4 s PHE 127 CO -0.04 -0.64 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.07 1ws4 s SER 128 N -2.32 1.44 -0.02 1.98 0.01 0.37 -4.96 113.70 110.20 1ws4 s SER 128 Ca -0.02 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.11 1ws4 s SER 128 Cb 0.00 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.30 1ws4 s SER 128 CO -0.06 -0.53 -0.11 -0.04 0.41 0.00 0.00 173.24 172.91 1ws4 s MET 129 N -3.88 1.06 0.04 12.44 -1.94 -1.26 -2.32 119.30 123.45 1ws4 s MET 129 Ca 0.24 -0.39 -0.25 0.00 -1.71 0.00 0.00 55.69 53.58 1ws4 s MET 129 Cb 0.06 -0.99 -0.05 0.00 2.01 0.00 0.00 34.83 35.85 1ws4 s MET 129 CO 0.05 0.18 0.78 0.71 -0.01 0.00 0.00 175.02 176.73 1ws4 s TYR 130 N -0.01 3.73 0.03 -0.03 1.51 -0.30 -4.98 117.35 117.31 1ws4 s TYR 130 Ca -0.00 1.49 0.08 0.00 -1.01 0.00 0.00 57.07 57.63 1ws4 s TYR 130 Cb -0.07 -2.84 -0.03 0.00 -0.11 0.00 0.00 41.96 38.91 1ws4 s TYR 130 CO 0.00 0.26 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.95 1ws4 s LEU 131 N -0.00 2.14 0.20 -1.29 1.43 -1.26 -0.78 118.68 119.12 1ws4 s LEU 131 Ca 0.39 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1ws4 s LEU 131 Cb -0.21 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1ws4 s LEU 131 CO 0.23 0.24 0.45 -0.55 0.23 0.00 0.00 176.35 176.95 1ws4 s SER 132 N -1.10 -0.13 0.00 2.29 0.15 -0.34 -4.93 113.70 109.64 1ws4 s SER 132 Ca 0.10 -0.69 0.29 0.00 0.70 0.00 0.00 55.95 56.34 1ws4 s SER 132 Cb -0.10 0.54 1.17 0.00 -1.71 0.00 0.00 66.02 65.93 1ws4 s SER 132 CO 0.01 -1.03 1.81 0.18 1.20 0.00 0.00 173.24 175.42