#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 4.06 0.56 1.61 2.20 -0.09 -4.74 119.74 123.34 1ws4 s LYS 2 Ca 0.00 0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 1ws4 s LYS 2 Cb 0.00 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1ws4 s LYS 2 CO 0.00 -0.44 1.09 0.00 -0.36 0.00 0.00 175.35 175.64 1ws4 s ALA 3 N 2.51 2.71 0.05 3.13 0.00 -1.26 -1.83 121.76 127.07 1ws4 s ALA 3 Ca 0.25 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 1ws4 s ALA 3 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ws4 s ALA 3 CO 0.09 -0.75 0.06 -0.59 0.00 0.00 0.00 175.76 174.58 1ws4 s PHE 4 N -2.06 0.31 -0.28 0.00 -0.71 -0.00 -4.94 117.98 110.29 1ws4 s PHE 4 Ca 0.69 -0.72 0.01 0.00 -1.04 0.00 0.00 56.93 55.87 1ws4 s PHE 4 Cb -0.20 -0.21 0.16 0.00 -1.21 0.00 0.00 43.02 41.56 1ws4 s PHE 4 CO 0.30 -0.40 0.44 0.34 -1.34 0.00 0.00 175.22 174.56 1ws4 s ASP 5 N -2.52 -0.00 0.30 1.98 3.68 -1.26 -1.30 116.67 117.54 1ws4 s ASP 5 Ca 0.01 -0.12 0.12 0.00 2.13 0.00 0.00 52.55 54.68 1ws4 s ASP 5 Cb 0.03 1.29 0.46 0.00 -1.45 0.00 0.00 42.92 43.25 1ws4 s ASP 5 CO -0.08 -0.33 1.66 0.44 0.13 0.00 0.00 175.17 177.00 1ws4 h ASP 6 N 8.14 0.00 -3.74 -0.34 3.32 -1.65 -3.49 116.42 118.65 1ws4 h ASP 6 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ws4 h ASP 6 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ws4 h ASP 6 CO 0.25 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 1ws4 n GLY 7 N 0.12 -1.80 3.76 2.75 0.00 -1.25 -4.96 105.19 103.80 1ws4 n GLY 7 Ca -0.01 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.70 3.52 0.00 4.61 0.00 -1.26 -3.97 121.76 122.95 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 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1ws4 s ALA 8 CO 0.00 0.63 0.00 1.19 0.00 0.00 0.00 175.76 177.58 1ws4 n PHE 9 N 1.73 0.00 0.07 0.00 3.01 0.12 -5.00 117.46 117.39 1ws4 n PHE 9 Ca -0.17 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.33 1ws4 n PHE 9 Cb 0.54 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.96 1ws4 n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ws4 h THR 10 N 0.43 0.35 0.00 4.37 2.02 -1.41 -3.46 112.91 115.22 1ws4 h THR 10 Ca 0.00 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1ws4 h THR 10 Cb 0.00 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1ws4 h THR 10 CO 0.00 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.70 1ws4 n GLY 11 N 1.31 -1.34 3.19 2.16 0.00 -1.17 -4.93 105.19 104.42 1ws4 n GLY 11 Ca -0.06 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.85 1.87 -0.17 -0.61 -1.09 -1.26 -1.23 121.20 115.86 1ws4 s ILE 12 Ca 0.00 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 1ws4 s ILE 12 Cb 0.00 -1.62 -0.11 0.00 -1.58 0.00 0.00 42.46 39.15 1ws4 s ILE 12 CO 0.00 0.52 -0.16 0.54 -1.23 0.00 0.00 174.94 174.61 1ws4 n ARG 13 N 3.41 0.43 -3.65 2.79 1.74 -0.28 -4.79 116.66 116.32 1ws4 n ARG 13 Ca -0.19 0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 1ws4 n ARG 13 Cb 0.53 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.35 0.81 -0.10 5.56 2.12 -0.81 -1.30 118.70 122.63 1ws4 s GLU 14 Ca -0.23 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.36 1ws4 s GLU 14 Cb 0.06 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1ws4 s GLU 14 CO 0.40 -0.21 -0.14 0.42 -0.54 0.00 0.00 175.26 175.18 1ws4 s ILE 15 N -0.84 1.40 -0.22 -3.70 1.01 -0.07 -0.29 121.20 118.50 1ws4 s ILE 15 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1ws4 s ILE 15 Cb -0.03 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.19 1ws4 s ILE 15 CO 0.06 0.42 -0.13 0.20 0.00 0.00 0.00 174.94 175.48 1ws4 s ASN 16 N 0.91 3.78 0.22 3.58 0.01 0.86 -0.41 114.94 123.89 1ws4 s ASN 16 Ca -0.09 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.23 1ws4 s ASN 16 Cb -0.15 -1.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.90 1ws4 s ASN 16 CO 0.00 -0.07 0.11 -1.48 -1.51 0.00 0.00 177.10 174.15 1ws4 s LEU 17 N 1.28 1.44 0.08 0.60 0.05 -0.85 -0.27 118.68 121.01 1ws4 s LEU 17 Ca 0.01 -1.37 0.03 0.00 0.05 0.00 0.00 54.13 52.85 1ws4 s LEU 17 Cb -0.15 0.20 -0.03 0.00 -2.05 0.00 0.00 46.19 44.15 1ws4 s LEU 17 CO -0.08 -0.77 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.92 1ws4 s SER 18 N -3.22 1.17 0.20 1.48 1.04 -0.79 -0.41 113.70 113.15 1ws4 s SER 18 Ca 0.37 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.88 1ws4 s SER 18 Cb 0.07 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1ws4 s SER 18 CO 0.12 -0.29 0.49 -0.72 0.98 0.00 0.00 173.24 173.82 1ws4 s TYR 19 N -2.34 0.01 -0.12 5.02 1.13 -0.77 -0.34 117.35 119.93 1ws4 s TYR 19 Ca 0.01 -0.36 -0.00 0.00 -1.41 0.00 0.00 57.07 55.31 1ws4 s TYR 19 Cb -0.03 0.31 0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1ws4 s TYR 19 CO -0.01 -0.90 -0.08 1.21 -2.51 0.00 0.00 175.55 173.26 1ws4 s ASN 20 N -2.90 2.33 0.62 -0.18 3.84 -0.85 -0.14 114.94 117.65 1ws4 s ASN 20 Ca 0.12 -0.38 0.31 0.00 0.21 0.00 0.00 52.86 53.12 1ws4 s ASN 20 Cb -0.00 -0.87 1.70 0.00 -0.55 0.00 0.00 41.25 41.52 1ws4 s ASN 20 CO -0.01 -0.13 2.03 0.07 -2.79 0.00 0.00 177.10 176.27 1ws4 h LYS 21 N 8.16 0.00 -0.02 0.43 2.10 -1.89 -1.55 116.57 123.80 1ws4 h LYS 21 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1ws4 h LYS 21 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1ws4 h LYS 21 CO 0.41 0.00 -0.17 0.39 -2.00 0.00 0.00 179.45 178.09 1ws4 n GLU 22 N -3.39 1.78 0.00 0.07 -0.58 -1.26 -3.88 120.64 113.38 1ws4 n GLU 22 Ca 0.01 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.27 1ws4 n GLU 22 Cb 0.39 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1ws4 n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ws4 n THR 23 N 0.74 0.00 -3.33 2.62 -2.24 -0.59 -5.00 114.28 106.48 1ws4 n THR 23 Ca 0.11 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.88 1ws4 n THR 23 Cb 0.50 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.75 -0.34 -1.80 6.98 0.00 -1.16 -4.50 120.51 116.95 1ws4 n ALA 24 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1ws4 n ALA 24 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.66 3.60 0.00 0.00 1.01 -1.05 -2.01 121.20 120.08 1ws4 s ILE 25 Ca 0.03 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1ws4 s ILE 25 Cb -0.01 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1ws4 s ILE 25 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1ws4 n GLY 26 N 1.35 0.33 3.79 6.18 0.00 0.53 -1.08 105.19 116.30 1ws4 n GLY 26 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.09 5.78 -0.16 1.61 1.01 -1.24 -4.29 116.67 119.28 1ws4 s ASP 27 Ca 0.00 1.89 -0.07 0.00 0.71 0.00 0.00 52.55 55.08 1ws4 s ASP 27 Cb 0.00 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.45 1ws4 s ASP 27 CO 0.00 -1.17 0.36 0.12 0.21 0.00 0.00 175.17 174.69 1ws4 s PHE 28 N -2.30 -0.58 -0.11 4.23 5.36 -0.17 -1.89 117.98 122.53 1ws4 s PHE 28 Ca 0.65 1.22 -0.13 0.00 -0.96 0.00 0.00 56.93 57.71 1ws4 s PHE 28 Cb -0.17 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1ws4 s PHE 28 CO 0.34 -0.36 0.35 -1.14 -1.46 0.00 0.00 175.22 172.94 1ws4 s GLN 29 N 1.84 0.47 -0.02 10.12 -0.44 0.63 -1.33 119.66 130.93 1ws4 s GLN 29 Ca -0.06 0.35 0.04 0.00 -2.50 0.00 0.00 55.36 53.19 1ws4 s GLN 29 Cb -0.10 0.22 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 1ws4 s GLN 29 CO -0.11 -0.08 -0.14 0.08 0.50 0.00 0.00 175.29 175.54 1ws4 s VAL 30 N -0.13 1.14 -0.40 1.34 1.01 -1.26 -0.10 120.40 121.99 1ws4 s VAL 30 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1ws4 s VAL 30 Cb -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1ws4 s VAL 30 CO 0.01 0.33 0.26 -0.69 0.00 0.00 0.00 175.10 175.02 1ws4 s VAL 31 N -0.11 4.95 0.57 2.92 1.01 0.61 -0.86 120.40 129.49 1ws4 s VAL 31 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ws4 s VAL 31 Cb -0.08 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1ws4 s VAL 31 CO 0.00 -0.30 0.80 -0.31 0.00 0.00 0.00 175.10 175.30 1ws4 s TYR 32 N 1.62 2.89 -0.13 5.22 1.51 0.00 -1.13 117.35 127.33 1ws4 s TYR 32 Ca 0.04 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1ws4 s TYR 32 Cb -0.19 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1ws4 s TYR 32 CO 0.08 -0.92 0.06 0.34 -1.11 0.00 0.00 175.55 174.01 1ws4 s ASP 33 N -4.43 5.71 -0.44 2.29 2.15 -0.36 -0.33 116.67 121.26 1ws4 s ASP 33 Ca 0.57 0.22 0.02 0.00 0.43 0.00 0.00 52.55 53.79 1ws4 s ASP 33 Cb -0.10 -1.82 0.13 0.00 -0.30 0.00 0.00 42.92 40.82 1ws4 s ASP 33 CO 0.39 0.32 0.22 -0.22 -0.17 0.00 0.00 175.17 175.71 1ws4 s LEU 34 N -0.49 3.14 -1.30 -1.34 2.96 0.14 -1.18 118.68 120.61 1ws4 s LEU 34 Ca 0.10 -2.59 -0.02 0.00 -0.22 0.00 0.00 54.13 51.40 1ws4 s LEU 34 Cb -0.12 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.39 1ws4 s LEU 34 CO 0.02 -0.28 0.82 0.59 -1.32 0.00 0.00 176.35 176.18 1ws4 n ASN 35 N 3.61 -1.91 0.00 3.68 5.03 -1.26 -2.53 115.26 121.88 1ws4 n ASN 35 Ca 0.06 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1ws4 n ASN 35 Cb 0.35 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.77 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 -1.50 1.17 3.28 7.41 0.00 -1.26 -5.05 105.19 109.24 1ws4 n GLY 36 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.91 2.66 0.40 1.61 0.01 -1.05 -5.12 113.70 109.29 1ws4 s SER 37 Ca 0.00 -0.56 -0.27 0.00 1.31 0.00 0.00 55.95 56.43 1ws4 s SER 37 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1ws4 s SER 37 CO 0.00 0.17 1.33 -2.84 0.41 0.00 0.00 173.24 172.32 1ws4 s PRO 38 N -1.29 4.01 -0.19 12.44 0.02 -1.26 0.27 135.00 149.00 1ws4 s PRO 38 Ca 0.08 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 1ws4 s PRO 38 Cb -0.09 -2.81 0.06 0.00 0.02 0.00 0.00 34.50 31.67 1ws4 s PRO 38 CO 0.02 -0.48 0.02 -0.47 -0.33 0.00 0.00 177.00 175.76 1ws4 s TYR 39 N -1.22 1.16 -0.39 6.54 6.14 0.55 -4.79 117.35 125.34 1ws4 s TYR 39 Ca 0.56 -0.93 -0.29 0.00 0.64 0.00 0.00 57.07 57.05 1ws4 s TYR 39 Cb -0.40 -1.08 0.01 0.00 0.42 0.00 0.00 41.96 40.92 1ws4 s TYR 39 CO 0.52 -0.62 1.30 0.08 0.64 0.00 0.00 175.55 177.47 1ws4 s VAL 40 N 1.81 4.07 0.73 3.14 1.01 -1.26 -0.82 120.40 129.08 1ws4 s VAL 40 Ca -0.01 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 1ws4 s VAL 40 Cb -0.17 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1ws4 s VAL 40 CO -0.08 -0.73 1.07 -0.83 0.00 0.00 0.00 175.10 174.54 1ws4 s GLY 41 N 3.16 1.66 0.42 4.51 0.00 -0.04 -4.98 107.32 112.06 1ws4 s GLY 41 Ca 0.56 0.09 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 1ws4 s GLY 41 CO 0.29 0.42 1.42 1.62 0.00 0.00 0.00 173.10 176.85 1ws4 s GLN 42 N -5.02 3.85 -0.36 2.90 0.74 -1.26 -4.62 119.66 115.88 1ws4 s GLN 42 Ca 0.59 2.41 -0.27 0.00 0.05 0.00 0.00 55.36 58.14 1ws4 s GLN 42 Cb -0.15 -2.76 0.02 0.00 1.10 0.00 0.00 33.01 31.22 1ws4 s GLN 42 CO 0.55 -0.68 0.99 1.21 -0.55 0.00 0.00 175.29 176.81 1ws4 s ASN 43 N -0.46 6.74 -0.58 6.67 3.04 -1.26 -4.55 114.94 124.54 1ws4 s ASN 43 Ca 0.58 0.70 -0.19 0.00 0.04 0.00 0.00 52.86 53.99 1ws4 s ASN 43 Cb -0.43 -2.49 0.09 0.00 -1.54 0.00 0.00 41.25 36.88 1ws4 s ASN 43 CO 0.57 -0.90 0.71 -1.00 -3.04 0.00 0.00 177.10 173.43 1ws4 s HIS 44 N 3.61 2.99 0.07 0.43 3.76 -0.44 -4.99 115.29 120.71 1ws4 s HIS 44 Ca 0.41 -0.88 -0.08 0.00 -0.15 0.00 0.00 55.06 54.37 1ws4 s HIS 44 Cb -0.12 -3.96 -0.05 0.00 1.11 0.00 0.00 32.58 29.56 1ws4 s HIS 44 CO 0.19 -1.28 0.36 0.14 -0.85 0.00 0.00 174.74 173.30 1ws4 s VAL 45 N 2.76 5.17 0.70 -0.90 -7.23 -1.26 -1.00 120.40 118.63 1ws4 s VAL 45 Ca 0.13 0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.43 1ws4 s VAL 45 Cb -0.23 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.11 1ws4 s VAL 45 CO 0.07 0.26 1.12 -0.55 -0.31 0.00 0.00 175.10 175.69 1ws4 s SER 46 N -1.89 4.78 0.53 4.85 0.15 -1.26 -4.84 113.70 116.01 1ws4 s SER 46 Ca 0.33 2.03 0.31 0.00 0.70 0.00 0.00 55.95 59.33 1ws4 s SER 46 Cb -0.13 -2.55 1.17 0.00 -1.71 0.00 0.00 66.02 62.79 1ws4 s SER 46 CO 0.19 -1.86 1.91 -0.26 1.20 0.00 0.00 173.24 174.43 1ws4 h PHE 47 N -0.28 0.00 -0.36 3.44 0.04 -1.06 -3.45 116.94 115.26 1ws4 h PHE 47 Ca -0.46 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 59.64 1ws4 h PHE 47 Cb 1.25 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.29 1ws4 h PHE 47 CO 0.54 0.02 -0.47 0.96 -0.60 0.00 0.00 178.31 178.75 1ws4 s ILE 48 N -3.59 1.23 0.00 -0.55 -4.36 -1.26 -5.04 121.20 107.63 1ws4 s ILE 48 Ca 0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1ws4 s ILE 48 Cb 0.08 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.66 1ws4 s ILE 48 CO 0.57 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.10 1ws4 n THR 49 N -1.37 0.00 -0.20 8.37 -2.24 -1.26 -4.90 114.28 112.68 1ws4 n THR 49 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ws4 n THR 49 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 4.45 0.89 3.93 3.38 0.00 -1.26 -5.09 105.19 111.49 1ws4 n GLY 50 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 3.50 -0.29 1.61 0.08 -1.26 -4.87 117.98 114.75 1ws4 s PHE 51 Ca 0.00 0.48 -0.14 0.00 0.12 0.00 0.00 56.93 57.38 1ws4 s PHE 51 Cb 0.00 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1ws4 s PHE 51 CO 0.00 0.09 0.34 0.99 -0.10 0.00 0.00 175.22 176.55 1ws4 s THR 52 N -2.30 5.19 0.39 0.64 2.01 0.80 -4.82 115.64 117.56 1ws4 s THR 52 Ca 0.42 0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.55 1ws4 s THR 52 Cb -0.10 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1ws4 s THR 52 CO 0.35 0.11 1.14 -2.84 -0.69 0.00 0.00 174.62 172.70 1ws4 s PRO 53 N 2.01 4.10 -0.01 4.92 0.02 -1.26 -1.85 135.00 142.93 1ws4 s PRO 53 Ca 0.13 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1ws4 s PRO 53 Cb -0.16 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.70 1ws4 s PRO 53 CO 0.11 -0.26 0.01 0.08 -0.33 0.00 0.00 177.00 176.60 1ws4 s VAL 54 N -1.44 0.06 -0.18 3.83 1.01 0.45 -4.97 120.40 119.16 1ws4 s VAL 54 Ca 0.56 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1ws4 s VAL 54 Cb -0.29 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1ws4 s VAL 54 CO 0.37 0.08 -0.17 -0.75 0.00 0.00 0.00 175.10 174.62 1ws4 s LYS 55 N 0.62 3.07 -0.42 2.72 2.20 -1.26 -2.00 119.74 124.68 1ws4 s LYS 55 Ca -0.06 -0.79 -0.06 0.00 -0.36 0.00 0.00 55.97 54.70 1ws4 s LYS 55 Cb -0.08 -2.63 0.10 0.00 -1.51 0.00 0.00 37.83 33.71 1ws4 s LYS 55 CO -0.02 -0.17 0.24 0.42 -0.36 0.00 0.00 175.35 175.47 1ws4 s ILE 56 N 1.23 3.75 -0.35 5.43 1.01 0.45 -4.99 121.20 127.73 1ws4 s ILE 56 Ca 0.03 -1.77 -0.14 0.00 0.00 0.00 0.00 60.65 58.77 1ws4 s ILE 56 Cb -0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1ws4 s ILE 56 CO -0.09 -0.63 0.29 -0.44 0.00 0.00 0.00 174.94 174.07 1ws4 s SER 57 N 2.10 6.11 0.21 3.58 0.01 -1.26 -0.89 113.70 123.55 1ws4 s SER 57 Ca 0.05 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 1ws4 s SER 57 Cb -0.24 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1ws4 s SER 57 CO -0.02 -0.29 0.51 -0.76 0.41 0.00 0.00 173.24 173.09 1ws4 s LEU 58 N 1.82 4.18 -1.38 2.44 1.43 -0.42 -4.98 118.68 121.78 1ws4 s LEU 58 Ca 0.08 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1ws4 s LEU 58 Cb -0.17 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.56 1ws4 s LEU 58 CO 0.11 -0.05 2.11 -0.67 0.23 0.00 0.00 176.35 178.08 1ws4 n ASP 59 N -0.13 4.92 -4.76 2.29 4.64 -1.26 -4.86 116.55 117.38 1ws4 n ASP 59 Ca -0.00 -2.97 -0.41 0.00 -1.38 0.00 0.00 54.79 50.03 1ws4 n ASP 59 Cb 0.52 -1.55 -0.02 0.00 -1.04 0.00 0.00 41.12 39.03 1ws4 n ASP 59 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1ws4 s PHE 60 N 1.57 3.01 -2.79 -0.67 5.36 -1.26 -0.82 117.98 122.37 1ws4 s PHE 60 Ca 0.45 1.30 0.24 0.00 -0.96 0.00 0.00 56.93 57.96 1ws4 s PHE 60 Cb 0.12 -3.74 0.35 0.00 -0.34 0.00 0.00 43.02 39.41 1ws4 s PHE 60 CO -0.04 -2.14 1.35 -0.35 -1.46 0.00 0.00 175.22 172.58 1ws4 n PRO 61 N 1.18 2.30 0.21 10.12 -0.04 -1.26 -4.87 135.00 142.64 1ws4 n PRO 61 Ca 0.02 -1.91 0.08 0.00 -0.04 0.00 0.00 63.50 61.64 1ws4 n PRO 61 Cb 0.41 -1.47 0.47 0.00 -0.04 0.00 0.00 33.50 32.86 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 4.36 0.00 -3.37 3.54 4.64 -1.77 -3.42 113.55 117.53 1ws4 h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1ws4 h SER 62 Cb 0.94 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.83 1ws4 h SER 62 CO 0.00 0.28 -0.66 -0.70 -0.87 0.00 0.00 176.83 174.88 1ws4 s GLU 63 N -3.89 3.40 0.04 4.77 2.12 0.00 -4.95 118.70 120.20 1ws4 s GLU 63 Ca -0.01 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.67 1ws4 s GLU 63 Cb 0.12 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.69 1ws4 s GLU 63 CO 0.66 0.39 0.31 1.52 -0.54 0.00 0.00 175.26 177.60 1ws4 s TYR 64 N -0.04 -0.11 0.14 5.30 -0.85 -1.26 -4.35 117.35 116.17 1ws4 s TYR 64 Ca 0.01 -0.02 -0.31 0.00 -0.52 0.00 0.00 57.07 56.23 1ws4 s TYR 64 Cb -0.13 0.10 -0.09 0.00 0.38 0.00 0.00 41.96 42.22 1ws4 s TYR 64 CO 0.03 -0.51 1.47 0.42 -1.52 0.00 0.00 175.55 175.44 1ws4 s ILE 65 N -2.56 2.99 -0.02 -3.49 -1.09 -1.26 -2.55 121.20 113.21 1ws4 s ILE 65 Ca -0.05 0.71 0.10 0.00 -2.23 0.00 0.00 60.65 59.18 1ws4 s ILE 65 Cb -0.01 -3.45 -0.15 0.00 -1.58 0.00 0.00 42.46 37.27 1ws4 s ILE 65 CO -0.03 0.05 0.22 0.23 -1.23 0.00 0.00 174.94 174.18 1ws4 n MET 66 N 3.97 0.38 -3.65 2.79 2.81 0.10 -4.76 117.12 118.76 1ws4 n MET 66 Ca 0.13 -0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.81 1ws4 n MET 66 Cb 0.41 -1.23 -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 -2.67 0.71 -0.10 0.03 2.12 -0.89 -0.63 118.70 117.27 1ws4 s GLU 67 Ca -0.03 0.99 0.04 0.00 0.36 0.00 0.00 54.97 56.32 1ws4 s GLU 67 Cb 0.06 0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.72 1ws4 s GLU 67 CO 0.41 -0.11 -0.23 0.08 -0.54 0.00 0.00 175.26 174.87 1ws4 s VAL 68 N 0.82 2.15 0.20 3.70 1.01 -0.93 -1.18 120.40 126.16 1ws4 s VAL 68 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1ws4 s VAL 68 Cb -0.05 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ws4 s VAL 68 CO -0.06 0.56 0.14 -0.94 0.00 0.00 0.00 175.10 174.79 1ws4 s SER 69 N 0.28 0.15 0.00 3.32 1.04 -0.76 0.27 113.70 118.00 1ws4 s SER 69 Ca -0.16 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1ws4 s SER 69 Cb -0.17 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1ws4 s SER 69 CO 0.08 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ws4 n GLY 70 N -0.26 -0.83 3.02 7.32 0.00 -0.61 -0.73 105.19 113.09 1ws4 n GLY 70 Ca 0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 0.49 0.18 1.61 2.02 -0.86 -1.66 117.35 116.13 1ws4 s TYR 71 Ca 0.00 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.36 1ws4 s TYR 71 Cb 0.00 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 1ws4 s TYR 71 CO 0.00 -0.10 -0.20 0.95 -1.57 0.00 0.00 175.55 174.63 1ws4 s THR 72 N -1.18 2.02 0.00 -0.71 -4.23 -0.26 -0.91 115.64 110.38 1ws4 s THR 72 Ca -0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1ws4 s THR 72 Cb -0.09 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1ws4 s THR 72 CO -0.00 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1ws4 n GLY 73 N 0.19 -0.35 3.80 3.99 0.00 -0.58 -0.81 105.19 111.44 1ws4 n GLY 73 Ca -0.12 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1ws4 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ws4 s ASN 74 N 0.00 7.01 -0.19 1.61 0.01 -1.26 -1.02 114.94 121.11 1ws4 s ASN 74 Ca 0.00 1.77 -0.04 0.00 -0.71 0.00 0.00 52.86 53.87 1ws4 s ASN 74 Cb 0.00 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.17 1ws4 s ASN 74 CO 0.00 -0.30 0.08 -0.69 -1.51 0.00 0.00 177.10 174.68 1ws4 s VAL 75 N -1.97 0.07 0.00 1.60 1.01 -0.16 -4.92 120.40 116.02 1ws4 s VAL 75 Ca 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1ws4 s VAL 75 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1ws4 s VAL 75 CO 0.17 -0.33 0.00 -1.20 0.00 0.00 0.00 175.10 173.74 1ws4 n SER 76 N 5.22 0.00 -0.04 3.32 7.64 -1.26 -2.13 113.62 126.36 1ws4 n SER 76 Ca -0.07 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.94 1ws4 n SER 76 Cb 0.48 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 64.10 1ws4 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ws4 n GLY 77 N 0.00 -1.21 3.81 0.23 0.00 -1.26 -4.92 105.19 101.85 1ws4 n GLY 77 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.86 3.81 -0.19 1.61 2.02 -0.91 -5.01 117.35 115.83 1ws4 s TYR 78 Ca 0.16 1.30 -0.20 0.00 -0.37 0.00 0.00 57.07 57.96 1ws4 s TYR 78 Cb 0.19 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1ws4 s TYR 78 CO 0.60 0.59 0.58 0.08 -1.57 0.00 0.00 175.55 175.82 1ws4 s VAL 79 N -1.11 5.07 0.31 0.71 1.01 -1.26 -0.99 120.40 124.13 1ws4 s VAL 79 Ca 0.29 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1ws4 s VAL 79 Cb -0.20 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ws4 s VAL 79 CO 0.19 0.16 0.26 0.68 0.00 0.00 0.00 175.10 176.39 1ws4 s VAL 80 N 1.67 0.00 -0.47 2.92 -7.23 -0.19 -4.78 120.40 112.33 1ws4 s VAL 80 Ca 0.27 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.22 1ws4 s VAL 80 Cb -0.16 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ws4 s VAL 80 CO 0.10 0.00 0.74 -0.69 -0.31 0.00 0.00 175.10 174.94 1ws4 s VAL 81 N -3.56 4.70 0.02 1.32 1.01 0.27 -1.52 120.40 122.63 1ws4 s VAL 81 Ca 0.40 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.66 1ws4 s VAL 81 Cb 0.03 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 1ws4 s VAL 81 CO 0.25 -0.75 1.19 0.03 0.00 0.00 0.00 175.10 175.83 1ws4 h ARG 82 N 9.00 0.00 -2.80 2.72 3.08 -1.32 -2.79 114.38 122.27 1ws4 h ARG 82 Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1ws4 h ARG 82 Cb 1.09 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.94 1ws4 h ARG 82 CO 0.96 0.76 -0.16 0.45 -1.07 0.00 0.00 179.97 180.90 1ws4 s SER 83 N -6.49 -0.30 0.01 7.04 0.15 -1.13 -1.55 113.70 111.43 1ws4 s SER 83 Ca 0.01 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1ws4 s SER 83 Cb 0.09 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1ws4 s SER 83 CO 0.80 -0.49 -0.02 -0.76 1.20 0.00 0.00 173.24 173.97 1ws4 s LEU 84 N -1.32 2.16 -0.02 3.45 1.43 -0.93 -2.03 118.68 121.43 1ws4 s LEU 84 Ca -0.13 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1ws4 s LEU 84 Cb -0.04 0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.26 1ws4 s LEU 84 CO 0.05 -0.20 0.00 -0.89 0.23 0.00 0.00 176.35 175.55 1ws4 s THR 85 N -0.98 0.09 -0.16 5.49 2.01 0.09 -1.21 115.64 120.98 1ws4 s THR 85 Ca -0.11 0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1ws4 s THR 85 Cb -0.07 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1ws4 s THR 85 CO -0.01 0.08 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.47 1ws4 s PHE 86 N 0.59 2.76 -0.18 4.92 0.08 0.52 -1.82 117.98 124.85 1ws4 s PHE 86 Ca -0.05 -1.26 -0.02 0.00 0.12 0.00 0.00 56.93 55.72 1ws4 s PHE 86 Cb -0.08 -1.89 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1ws4 s PHE 86 CO -0.01 -0.60 -0.10 0.21 -0.10 0.00 0.00 175.22 174.62 1ws4 s LYS 87 N 0.97 3.33 0.33 0.44 2.20 -0.33 0.93 119.74 127.61 1ws4 s LYS 87 Ca -0.03 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 1ws4 s LYS 87 Cb -0.15 -2.79 0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1ws4 s LYS 87 CO -0.04 -0.03 0.29 0.25 -0.36 0.00 0.00 175.35 175.47 1ws4 n THR 88 N 4.23 0.00 1.86 3.43 -2.24 0.91 0.02 114.28 122.50 1ws4 n THR 88 Ca -0.19 -1.27 0.16 0.00 -2.27 0.00 0.00 64.05 60.48 1ws4 n THR 88 Cb 0.51 -0.32 0.90 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.05 0.00 0.00 3.42 6.94 -1.06 -3.89 115.26 118.63 1ws4 n ASN 89 Ca 0.01 -0.83 0.00 0.00 -0.02 0.00 0.00 54.58 53.74 1ws4 n ASN 89 Cb 0.37 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.05 1.90 -3.99 -3.83 5.02 -1.26 -5.05 118.16 109.90 1ws4 n LYS 90 Ca 0.22 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1ws4 n LYS 90 Cb 0.13 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 1ws4 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ws4 s LYS 91 N -1.95 1.81 -0.16 1.97 1.02 -1.25 -5.15 119.74 116.02 1ws4 s LYS 91 Ca 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 55.97 54.55 1ws4 s LYS 91 Cb 0.00 0.49 0.01 0.00 -0.52 0.00 0.00 37.83 37.81 1ws4 s LYS 91 CO 0.00 -0.77 -0.19 0.99 -0.92 0.00 0.00 175.35 174.46 1ws4 s THR 92 N -3.38 2.25 -0.29 2.17 2.01 -1.26 -0.06 115.64 117.08 1ws4 s THR 92 Ca 0.24 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1ws4 s THR 92 Cb -0.02 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1ws4 s THR 92 CO 0.13 0.53 0.09 -0.31 -0.69 0.00 0.00 174.62 174.37 1ws4 s TYR 93 N 1.01 3.13 0.00 4.92 1.51 0.27 -4.98 117.35 123.20 1ws4 s TYR 93 Ca -0.02 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1ws4 s TYR 93 Cb -0.15 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.44 1ws4 s TYR 93 CO -0.05 -0.52 0.00 0.41 -1.11 0.00 0.00 175.55 174.28 1ws4 n GLY 94 N 4.89 0.12 3.79 0.71 0.00 -1.26 -0.36 105.19 113.08 1ws4 n GLY 94 Ca -0.15 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.26 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 3.23 -0.20 1.61 0.04 -1.26 -4.99 135.00 133.43 1ws4 s PRO 95 Ca 0.00 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1ws4 s PRO 95 Cb 0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1ws4 s PRO 95 CO 0.00 -0.91 -0.17 0.71 0.04 0.00 0.00 177.00 176.67 1ws4 s TYR 96 N -2.21 2.91 0.00 0.56 2.02 -0.35 -4.97 117.35 115.31 1ws4 s TYR 96 Ca 0.67 -1.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 1ws4 s TYR 96 Cb -0.19 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1ws4 s TYR 96 CO 0.34 -0.82 0.00 0.41 -1.57 0.00 0.00 175.55 173.91 1ws4 n GLY 97 N 4.58 -0.86 3.61 0.71 0.00 -1.26 -2.18 105.19 109.78 1ws4 n GLY 97 Ca -0.19 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 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 3.94 -0.56 1.61 1.01 -0.60 -4.86 120.40 120.94 1ws4 s VAL 98 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1ws4 s VAL 98 Cb 0.00 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1ws4 s VAL 98 CO 0.00 -0.68 2.77 0.35 0.00 0.00 0.00 175.10 177.53 1ws4 n THR 99 N 6.89 3.58 -4.03 3.92 -2.24 -1.26 -3.80 114.28 117.34 1ws4 n THR 99 Ca 0.16 -3.10 -0.07 0.00 -2.27 0.00 0.00 64.05 58.77 1ws4 n THR 99 Cb 0.48 -1.69 -0.09 0.00 -2.10 0.00 0.00 70.33 66.92 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 0.46 0.39 0.00 3.42 0.15 -1.26 -5.08 113.70 111.78 1ws4 s SER 100 Ca 0.59 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1ws4 s SER 100 Cb 0.35 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ws4 s SER 100 CO -0.19 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.22 1ws4 n GLY 101 N 0.06 0.23 3.57 9.45 0.00 -1.26 -4.60 105.19 112.65 1ws4 n GLY 101 Ca -0.14 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 5.25 0.64 2.61 2.01 0.01 -4.90 115.64 121.27 1ws4 s THR 102 Ca 0.00 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.02 1ws4 s THR 102 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1ws4 s THR 102 CO 0.00 0.11 1.05 -2.16 -0.69 0.00 0.00 174.62 172.93 1ws4 s PRO 103 N 1.86 3.26 0.00 4.92 0.04 -1.26 -1.10 135.00 142.73 1ws4 s PRO 103 Ca 0.09 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.94 1ws4 s PRO 103 Cb -0.16 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ws4 s PRO 103 CO 0.11 -0.84 0.37 -0.59 0.04 0.00 0.00 177.00 176.08 1ws4 s PHE 104 N -2.89 -0.23 -0.18 0.56 -0.12 -0.66 -4.91 117.98 109.54 1ws4 s PHE 104 Ca 0.59 0.31 -0.25 0.00 -0.05 0.00 0.00 56.93 57.52 1ws4 s PHE 104 Cb -0.13 0.15 0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1ws4 s PHE 104 CO 0.48 -0.46 0.66 0.54 -0.05 0.00 0.00 175.22 176.38 1ws4 s ASN 105 N -1.54 -0.66 -0.38 1.98 6.03 -1.26 -1.58 114.94 117.52 1ws4 s ASN 105 Ca -0.11 1.11 0.01 0.00 -1.03 0.00 0.00 52.86 52.84 1ws4 s ASN 105 Cb -0.03 1.08 0.12 0.00 -3.03 0.00 0.00 41.25 39.38 1ws4 s ASN 105 CO 0.03 -0.35 0.17 -0.22 -2.03 0.00 0.00 177.10 174.69 1ws4 s LEU 106 N -0.17 2.73 0.21 3.54 2.96 0.14 -4.99 118.68 123.10 1ws4 s LEU 106 Ca -0.04 -2.21 -0.23 0.00 -0.22 0.00 0.00 54.13 51.43 1ws4 s LEU 106 Cb -0.03 -1.03 -0.08 0.00 0.50 0.00 0.00 46.19 45.54 1ws4 s LEU 106 CO 0.04 -0.33 0.78 -2.84 -1.32 0.00 0.00 176.35 172.67 1ws4 s PRO 107 N 0.87 4.43 -0.22 0.98 0.02 -1.26 -2.19 135.00 137.64 1ws4 s PRO 107 Ca 0.14 1.06 0.01 0.00 0.02 0.00 0.00 61.00 62.23 1ws4 s PRO 107 Cb -0.21 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.30 1ws4 s PRO 107 CO -0.10 0.46 -0.14 0.42 -0.33 0.00 0.00 177.00 177.31 1ws4 s ILE 108 N -1.37 2.25 0.02 2.83 -1.09 0.20 -4.98 121.20 119.06 1ws4 s ILE 108 Ca 0.41 -1.19 -0.08 0.00 -2.23 0.00 0.00 60.65 57.55 1ws4 s ILE 108 Cb -0.20 -2.11 -0.31 0.00 -1.58 0.00 0.00 42.46 38.26 1ws4 s ILE 108 CO 0.24 0.29 0.95 -0.33 -1.23 0.00 0.00 174.94 174.85 1ws4 h GLU 109 N 7.90 0.36 -2.75 2.79 5.08 -1.97 -3.46 114.58 122.52 1ws4 h GLU 109 Ca -0.34 -0.62 -0.16 0.00 -1.00 0.00 0.00 59.36 57.24 1ws4 h GLU 109 Cb 1.10 0.23 -0.29 0.00 0.50 0.00 0.00 28.75 30.29 1ws4 h GLU 109 CO 0.57 1.27 -0.42 1.21 -1.00 0.00 0.00 179.01 180.64 1ws4 s ASN 110 N -7.25 -0.16 0.00 1.42 2.47 -1.26 -5.13 114.94 105.04 1ws4 s ASN 110 Ca -0.09 0.76 0.00 0.00 0.42 0.00 0.00 52.86 53.95 1ws4 s ASN 110 Cb 0.06 0.82 0.00 0.00 -1.45 0.00 0.00 41.25 40.67 1ws4 s ASN 110 CO 0.89 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.67 1ws4 n GLY 111 N 4.83 1.23 3.09 1.21 0.00 -1.26 -4.98 105.19 109.31 1ws4 n GLY 111 Ca -0.15 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 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 1.99 -0.15 0.99 1.43 0.10 -4.97 118.68 118.07 1ws4 s LEU 112 Ca 0.00 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 1ws4 s LEU 112 Cb 0.00 0.45 -0.03 0.00 0.03 0.00 0.00 46.19 46.64 1ws4 s LEU 112 CO 0.00 -0.48 0.65 -0.63 0.23 0.00 0.00 176.35 176.11 1ws4 s ILE 113 N -2.60 5.04 -0.05 -0.59 1.01 -1.26 -1.26 121.20 121.49 1ws4 s ILE 113 Ca -0.05 1.26 0.07 0.00 0.00 0.00 0.00 60.65 61.93 1ws4 s ILE 113 Cb -0.01 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.60 1ws4 s ILE 113 CO -0.05 0.17 1.00 1.33 0.00 0.00 0.00 174.94 177.39 1ws4 n VAL 114 N 4.34 1.09 0.00 2.92 0.24 0.12 -4.51 118.33 122.53 1ws4 n VAL 114 Ca -0.02 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1ws4 n VAL 114 Cb 0.50 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 -0.74 0.91 3.08 7.63 0.00 -1.24 0.14 105.19 114.98 1ws4 n GLY 115 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 0.73 0.09 1.61 0.08 -1.25 -1.13 117.98 116.10 1ws4 s PHE 116 Ca 0.00 -0.54 -0.13 0.00 0.12 0.00 0.00 56.93 56.38 1ws4 s PHE 116 Cb 0.00 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1ws4 s PHE 116 CO 0.00 -0.08 0.30 -1.59 -0.10 0.00 0.00 175.22 173.75 1ws4 s LYS 117 N -1.82 0.92 0.00 0.44 -2.85 -0.97 -1.46 119.74 114.00 1ws4 s LYS 117 Ca -0.07 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1ws4 s LYS 117 Cb -0.08 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1ws4 s LYS 117 CO 0.00 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1ws4 n GLY 118 N 0.05 -0.63 3.41 0.59 0.00 -0.42 -0.34 105.19 107.84 1ws4 n GLY 118 Ca -0.16 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.54 -0.04 1.61 0.15 -0.61 -0.82 113.70 109.45 1ws4 s SER 119 Ca 0.00 1.03 0.01 0.00 0.70 0.00 0.00 55.95 57.68 1ws4 s SER 119 Cb 0.00 1.03 0.02 0.00 -1.71 0.00 0.00 66.02 65.37 1ws4 s SER 119 CO 0.00 -0.18 -0.03 -0.63 1.20 0.00 0.00 173.24 173.61 1ws4 s ILE 120 N 0.33 0.40 0.00 6.45 1.01 -0.76 -0.58 121.20 128.06 1ws4 s ILE 120 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1ws4 s ILE 120 Cb -0.04 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1ws4 s ILE 120 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1ws4 n GLY 121 N 4.18 1.37 0.16 6.18 0.00 -1.26 -0.91 105.19 114.90 1ws4 n GLY 121 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 0.42 -4.31 1.61 -1.99 -1.95 0.75 116.97 111.50 1ws4 h TYR 122 Ca 0.00 -0.18 -0.34 0.00 2.00 0.00 0.00 58.73 60.20 1ws4 h TYR 122 Cb 0.00 -0.06 -0.14 0.00 2.00 0.00 0.00 36.73 38.52 1ws4 h TYR 122 CO 0.00 0.92 -0.58 -1.58 -0.00 0.00 0.00 178.16 176.92 1ws4 s TRP 123 N -3.59 1.44 -0.46 4.88 0.51 -1.26 -4.48 118.94 115.98 1ws4 s TRP 123 Ca -0.05 -1.39 -0.28 0.00 -2.12 0.00 0.00 56.10 52.27 1ws4 s TRP 123 Cb 0.11 -0.73 -0.01 0.00 -0.81 0.00 0.00 33.47 32.03 1ws4 s TRP 123 CO 0.82 -0.59 1.75 -1.17 -0.51 0.00 0.00 176.95 177.25 1ws4 s LEU 124 N -3.28 3.43 0.08 2.99 2.96 -0.24 -4.40 118.68 120.22 1ws4 s LEU 124 Ca 0.38 0.81 -0.18 0.00 -0.22 0.00 0.00 54.13 54.92 1ws4 s LEU 124 Cb 0.06 -3.11 -0.08 0.00 0.50 0.00 0.00 46.19 43.56 1ws4 s LEU 124 CO 0.16 -1.93 1.50 0.44 -1.32 0.00 0.00 176.35 175.20 1ws4 h ASP 125 N 13.30 0.47 -4.99 3.68 3.32 -1.14 0.80 116.42 131.86 1ws4 h ASP 125 Ca -0.29 -0.34 0.18 0.00 0.02 0.00 0.00 57.03 56.60 1ws4 h ASP 125 Cb 1.15 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 1ws4 h ASP 125 CO 1.12 0.69 0.57 -0.72 -1.72 0.00 0.00 179.24 179.18 1ws4 s TYR 126 N -4.87 -0.20 0.07 4.55 -0.85 -1.22 -4.17 117.35 110.65 1ws4 s TYR 126 Ca -0.14 0.02 -0.21 0.00 -0.52 0.00 0.00 57.07 56.22 1ws4 s TYR 126 Cb 0.07 0.57 0.05 0.00 0.38 0.00 0.00 41.96 43.04 1ws4 s TYR 126 CO 0.76 -0.57 0.50 -0.59 -1.52 0.00 0.00 175.55 174.13 1ws4 s PHE 127 N -3.01 -0.39 0.22 -3.49 -0.71 -1.26 -1.58 117.98 107.75 1ws4 s PHE 127 Ca 0.09 0.35 0.04 0.00 -1.04 0.00 0.00 56.93 56.37 1ws4 s PHE 127 Cb -0.00 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 1ws4 s PHE 127 CO -0.04 -0.67 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.03 1ws4 s SER 128 N -2.19 1.79 0.00 1.98 0.01 0.54 -4.96 113.70 110.88 1ws4 s SER 128 Ca -0.03 -1.19 0.04 0.00 1.31 0.00 0.00 55.95 56.08 1ws4 s SER 128 Cb -0.00 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1ws4 s SER 128 CO -0.05 -0.49 -0.12 -0.04 0.41 0.00 0.00 173.24 172.96 1ws4 s MET 129 N -3.85 0.94 0.02 12.44 -1.94 -1.26 -2.29 119.30 123.36 1ws4 s MET 129 Ca 0.26 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.54 1ws4 s MET 129 Cb 0.05 -0.91 -0.06 0.00 2.01 0.00 0.00 34.83 35.93 1ws4 s MET 129 CO 0.07 0.24 0.61 0.71 -0.01 0.00 0.00 175.02 176.64 1ws4 s TYR 130 N -0.42 3.73 0.03 -0.03 1.51 -0.28 -4.98 117.35 116.91 1ws4 s TYR 130 Ca 0.04 1.25 0.07 0.00 -1.01 0.00 0.00 57.07 57.42 1ws4 s TYR 130 Cb -0.05 -2.60 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1ws4 s TYR 130 CO -0.00 0.41 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.13 1ws4 s LEU 131 N -0.44 2.14 0.18 -1.29 1.43 -1.26 -0.70 118.68 118.74 1ws4 s LEU 131 Ca 0.31 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1ws4 s LEU 131 Cb -0.19 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1ws4 s LEU 131 CO 0.18 0.19 0.47 -0.55 0.23 0.00 0.00 176.35 176.87 1ws4 s SER 132 N -1.06 -0.21 0.00 2.29 0.15 -0.39 -4.92 113.70 109.55 1ws4 s SER 132 Ca 0.08 -0.52 0.31 0.00 0.70 0.00 0.00 55.95 56.52 1ws4 s SER 132 Cb -0.09 0.54 1.59 0.00 -1.71 0.00 0.00 66.02 66.36 1ws4 s SER 132 CO 0.01 -1.00 2.05 0.18 1.20 0.00 0.00 173.24 175.68