#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 3.92 0.57 1.61 2.20 -0.16 -4.78 119.74 123.10 1ws4 s LYS 2 Ca 0.00 0.06 -0.17 0.00 -0.36 0.00 0.00 55.97 55.49 1ws4 s LYS 2 Cb 0.00 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1ws4 s LYS 2 CO 0.00 -0.39 1.08 0.00 -0.36 0.00 0.00 175.35 175.68 1ws4 s ALA 3 N 2.21 2.69 0.07 3.13 0.00 -1.26 -1.79 121.76 126.81 1ws4 s ALA 3 Ca 0.17 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 1ws4 s ALA 3 Cb -0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ws4 s ALA 3 CO 0.10 -0.80 0.17 -0.59 0.00 0.00 0.00 175.76 174.64 1ws4 s PHE 4 N -2.16 0.15 -0.28 0.00 -0.71 0.45 -4.94 117.98 110.49 1ws4 s PHE 4 Ca 0.67 -0.52 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 1ws4 s PHE 4 Cb -0.19 -0.08 0.16 0.00 -1.21 0.00 0.00 43.02 41.70 1ws4 s PHE 4 CO 0.32 -0.48 0.45 0.34 -1.34 0.00 0.00 175.22 174.51 1ws4 s ASP 5 N -2.56 -0.19 0.32 1.98 -1.08 -1.26 -1.08 116.67 112.80 1ws4 s ASP 5 Ca 0.01 0.01 0.14 0.00 -0.52 0.00 0.00 52.55 52.19 1ws4 s ASP 5 Cb 0.03 1.39 0.49 0.00 -1.46 0.00 0.00 42.92 43.36 1ws4 s ASP 5 CO -0.08 -0.32 1.66 0.44 0.52 0.00 0.00 175.17 177.38 1ws4 h ASP 6 N 8.12 0.00 -3.46 -0.34 3.32 -1.53 -3.49 116.42 119.04 1ws4 h ASP 6 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 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 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 1ws4 n GLY 7 N 0.29 -1.82 3.67 2.75 0.00 -1.25 -4.95 105.19 103.87 1ws4 n GLY 7 Ca -0.01 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.62 3.23 0.00 4.61 0.00 -1.26 -3.86 121.76 122.85 1ws4 s ALA 8 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1ws4 s ALA 8 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.77 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 1.66 0.00 0.11 0.00 3.01 0.78 -5.00 117.46 118.03 1ws4 n PHE 9 Ca -0.16 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.40 1ws4 n PHE 9 Cb 0.53 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.01 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 0.36 0.06 0.00 4.37 2.02 -1.48 -3.46 112.91 114.78 1ws4 h THR 10 Ca 0.00 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1ws4 h THR 10 Cb 0.00 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1ws4 h THR 10 CO 0.00 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1ws4 n GLY 11 N 1.20 -1.51 3.23 2.16 0.00 -1.16 -4.92 105.19 104.18 1ws4 n GLY 11 Ca -0.01 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.62 1.96 -0.12 -0.61 -1.09 -1.26 -1.06 121.20 116.39 1ws4 s ILE 12 Ca 0.00 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.47 1ws4 s ILE 12 Cb 0.00 -1.67 -0.10 0.00 -1.58 0.00 0.00 42.46 39.11 1ws4 s ILE 12 CO 0.00 0.54 -0.06 0.54 -1.23 0.00 0.00 174.94 174.74 1ws4 n ARG 13 N 3.20 1.12 -3.63 2.79 1.74 -0.27 -4.80 116.66 116.80 1ws4 n ARG 13 Ca -0.18 0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.79 1ws4 n ARG 13 Cb 0.52 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.25 0.81 -0.09 5.56 2.12 -0.88 -1.24 118.70 122.73 1ws4 s GLU 14 Ca -0.13 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.77 1ws4 s GLU 14 Cb 0.04 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.83 1ws4 s GLU 14 CO 0.35 -0.17 -0.17 0.42 -0.54 0.00 0.00 175.26 175.14 1ws4 s ILE 15 N -0.34 1.54 -0.24 -3.70 1.01 -0.23 -0.24 121.20 119.00 1ws4 s ILE 15 Ca -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1ws4 s ILE 15 Cb -0.03 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.11 1ws4 s ILE 15 CO 0.04 0.45 -0.13 0.20 0.00 0.00 0.00 174.94 175.50 1ws4 s ASN 16 N 0.60 4.07 0.25 3.58 0.01 0.70 -0.10 114.94 124.05 1ws4 s ASN 16 Ca -0.15 -1.15 0.02 0.00 -0.71 0.00 0.00 52.86 50.88 1ws4 s ASN 16 Cb -0.16 -1.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.90 1ws4 s ASN 16 CO 0.05 -0.13 0.06 -1.48 -1.51 0.00 0.00 177.10 174.09 1ws4 s LEU 17 N 1.17 1.85 0.06 0.60 0.05 -0.86 -0.33 118.68 121.22 1ws4 s LEU 17 Ca -0.04 -1.33 0.02 0.00 0.05 0.00 0.00 54.13 52.82 1ws4 s LEU 17 Cb -0.18 -0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 43.85 1ws4 s LEU 17 CO -0.07 -0.66 -0.07 -0.94 -0.55 0.00 0.00 176.35 174.06 1ws4 s SER 18 N -3.31 0.84 0.27 1.48 1.04 -0.88 -0.03 113.70 113.11 1ws4 s SER 18 Ca 0.34 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 1ws4 s SER 18 Cb 0.07 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1ws4 s SER 18 CO 0.12 -0.32 0.45 -0.72 0.98 0.00 0.00 173.24 173.74 1ws4 s TYR 19 N -2.24 0.61 -0.05 5.02 1.13 -0.53 0.05 117.35 121.33 1ws4 s TYR 19 Ca -0.03 -0.93 -0.00 0.00 -1.41 0.00 0.00 57.07 54.70 1ws4 s TYR 19 Cb -0.04 0.06 0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1ws4 s TYR 19 CO -0.02 -1.00 -0.02 1.21 -2.51 0.00 0.00 175.55 173.20 1ws4 s ASN 20 N -3.09 1.17 0.00 -0.18 3.84 -1.04 0.47 114.94 116.10 1ws4 s ASN 20 Ca 0.26 -0.10 0.00 0.00 0.21 0.00 0.00 52.86 53.23 1ws4 s ASN 20 Cb 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 41.25 40.27 1ws4 s ASN 20 CO 0.12 -0.12 0.89 0.29 -2.79 0.00 0.00 177.10 175.49 1ws4 n LYS 21 N 4.51 0.00 0.00 0.43 5.02 -1.26 -1.86 118.16 125.00 1ws4 n LYS 21 Ca -0.18 0.39 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1ws4 n LYS 21 Cb 0.50 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.39 5.16 0.00 1.97 1.02 -1.26 -4.73 120.64 121.41 1ws4 n GLU 22 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1ws4 n GLU 22 Cb 0.04 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.04 0.00 -2.62 2.62 -2.24 -0.78 -5.06 114.28 105.16 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 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.87 6.98 0.00 -1.24 -4.56 120.51 116.83 1ws4 n ALA 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 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 -2.92 3.58 0.00 0.00 1.09 -1.01 -2.51 121.20 119.42 1ws4 s ILE 25 Ca 0.00 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.04 1ws4 s ILE 25 Cb 0.00 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1ws4 s ILE 25 CO 0.00 0.32 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 1ws4 n GLY 26 N 1.53 0.25 3.82 6.18 0.00 0.11 -1.34 105.19 115.73 1ws4 n GLY 26 Ca 0.01 0.00 -0.32 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 -0.24 5.89 -0.20 1.61 1.01 -1.25 -4.27 116.67 119.22 1ws4 s ASP 27 Ca 0.00 1.69 -0.08 0.00 0.71 0.00 0.00 52.55 54.87 1ws4 s ASP 27 Cb 0.00 -2.51 0.09 0.00 1.01 0.00 0.00 42.92 41.50 1ws4 s ASP 27 CO 0.00 -1.09 0.43 0.12 0.21 0.00 0.00 175.17 174.84 1ws4 s PHE 28 N -2.69 -0.79 -0.06 4.23 5.36 -0.25 -2.07 117.98 121.72 1ws4 s PHE 28 Ca 0.61 1.53 -0.07 0.00 -0.96 0.00 0.00 56.93 58.04 1ws4 s PHE 28 Cb -0.14 0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.89 1ws4 s PHE 28 CO 0.41 -0.46 0.18 -1.14 -1.46 0.00 0.00 175.22 172.75 1ws4 s GLN 29 N 2.37 0.24 -0.02 10.12 0.74 0.55 -1.67 119.66 131.99 1ws4 s GLN 29 Ca -0.04 0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.63 1ws4 s GLN 29 Cb -0.11 0.11 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 1ws4 s GLN 29 CO -0.13 -0.03 -0.18 0.08 -0.55 0.00 0.00 175.29 174.47 1ws4 s VAL 30 N -0.03 1.45 -0.38 1.34 1.01 -1.26 -0.22 120.40 122.32 1ws4 s VAL 30 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1ws4 s VAL 30 Cb -0.02 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1ws4 s VAL 30 CO 0.00 0.41 0.21 -0.69 0.00 0.00 0.00 175.10 175.04 1ws4 s VAL 31 N -0.34 4.64 0.70 2.92 1.01 0.67 -0.65 120.40 129.35 1ws4 s VAL 31 Ca 0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ws4 s VAL 31 Cb -0.08 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1ws4 s VAL 31 CO -0.00 -0.24 0.96 -0.31 0.00 0.00 0.00 175.10 175.51 1ws4 s TYR 32 N 1.57 1.74 -0.11 5.22 1.51 0.48 -1.12 117.35 126.63 1ws4 s TYR 32 Ca 0.02 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1ws4 s TYR 32 Cb -0.19 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 1ws4 s TYR 32 CO 0.07 -1.59 -0.07 0.34 -1.11 0.00 0.00 175.55 173.19 1ws4 s ASP 33 N -4.70 4.58 -0.41 2.29 2.15 -0.23 -0.48 116.67 119.88 1ws4 s ASP 33 Ca 0.65 -0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.54 1ws4 s ASP 33 Cb -0.06 -1.48 0.12 0.00 -0.30 0.00 0.00 42.92 41.20 1ws4 s ASP 33 CO 0.43 0.25 0.15 -0.22 -0.17 0.00 0.00 175.17 175.62 1ws4 s LEU 34 N -0.16 3.83 -1.45 -1.34 2.96 0.14 -1.36 118.68 121.30 1ws4 s LEU 34 Ca 0.02 -2.41 -0.09 0.00 -0.22 0.00 0.00 54.13 51.43 1ws4 s LEU 34 Cb -0.13 -1.40 0.05 0.00 0.50 0.00 0.00 46.19 45.22 1ws4 s LEU 34 CO 0.03 -0.32 0.90 0.59 -1.32 0.00 0.00 176.35 176.22 1ws4 n ASN 35 N 3.88 -3.66 0.00 3.68 5.03 -1.26 -1.76 115.26 121.17 1ws4 n ASN 35 Ca 0.04 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.71 1ws4 n ASN 35 Cb 0.38 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 35.15 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 0.93 3.42 7.41 0.00 -1.26 -5.05 105.19 108.96 1ws4 n GLY 36 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ws4 n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws4 s SER 37 N -2.75 3.96 0.36 1.61 0.15 -0.72 -5.09 113.70 111.22 1ws4 s SER 37 Ca 0.00 -0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.10 1ws4 s SER 37 Cb 0.00 -1.18 -0.11 0.00 -1.71 0.00 0.00 66.02 63.02 1ws4 s SER 37 CO 0.00 0.26 1.48 -2.84 1.20 0.00 0.00 173.24 173.34 1ws4 s PRO 38 N -0.23 4.14 -0.18 5.44 0.02 -1.26 0.25 135.00 143.17 1ws4 s PRO 38 Ca 0.01 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.55 1ws4 s PRO 38 Cb -0.13 -2.98 0.05 0.00 0.02 0.00 0.00 34.50 31.46 1ws4 s PRO 38 CO 0.03 -0.50 -0.01 -0.47 -0.33 0.00 0.00 177.00 175.72 1ws4 s TYR 39 N -1.02 1.39 -0.35 6.54 6.14 0.36 -4.79 117.35 125.63 1ws4 s TYR 39 Ca 0.53 -0.98 -0.29 0.00 0.64 0.00 0.00 57.07 56.97 1ws4 s TYR 39 Cb -0.46 -1.17 0.01 0.00 0.42 0.00 0.00 41.96 40.76 1ws4 s TYR 39 CO 0.61 -0.61 1.26 0.08 0.64 0.00 0.00 175.55 177.53 1ws4 s VAL 40 N 1.74 4.16 0.67 3.14 1.01 -1.26 -0.39 120.40 129.47 1ws4 s VAL 40 Ca -0.01 1.28 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 1ws4 s VAL 40 Cb -0.16 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 1ws4 s VAL 40 CO -0.07 -0.61 1.06 -0.83 0.00 0.00 0.00 175.10 174.65 1ws4 s GLY 41 N 2.76 1.78 0.47 4.51 0.00 0.18 -4.97 107.32 112.05 1ws4 s GLY 41 Ca 0.54 0.16 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 1ws4 s GLY 41 CO 0.25 0.47 1.42 1.62 0.00 0.00 0.00 173.10 176.86 1ws4 s GLN 42 N -4.80 3.57 -0.33 2.90 0.74 -1.26 -4.61 119.66 115.87 1ws4 s GLN 42 Ca 0.59 2.41 -0.26 0.00 0.05 0.00 0.00 55.36 58.15 1ws4 s GLN 42 Cb -0.14 -2.58 0.01 0.00 1.10 0.00 0.00 33.01 31.39 1ws4 s GLN 42 CO 0.50 -0.90 0.91 1.21 -0.55 0.00 0.00 175.29 176.46 1ws4 s ASN 43 N -0.57 6.74 -0.59 6.67 2.47 -1.26 -4.57 114.94 123.83 1ws4 s ASN 43 Ca 0.63 0.73 -0.20 0.00 0.42 0.00 0.00 52.86 54.44 1ws4 s ASN 43 Cb -0.44 -2.46 0.08 0.00 -1.45 0.00 0.00 41.25 36.99 1ws4 s ASN 43 CO 0.55 -0.76 0.77 -1.00 -3.72 0.00 0.00 177.10 172.94 1ws4 s HIS 44 N 3.30 2.91 0.07 0.43 3.76 -0.67 -5.00 115.29 120.10 1ws4 s HIS 44 Ca 0.38 -0.74 -0.05 0.00 -0.15 0.00 0.00 55.06 54.50 1ws4 s HIS 44 Cb -0.13 -4.00 -0.05 0.00 1.11 0.00 0.00 32.58 29.51 1ws4 s HIS 44 CO 0.15 -1.34 0.30 0.14 -0.85 0.00 0.00 174.74 173.14 1ws4 s VAL 45 N 3.09 5.26 0.72 -0.90 -7.23 -1.26 -1.08 120.40 118.99 1ws4 s VAL 45 Ca 0.16 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 1ws4 s VAL 45 Cb -0.21 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.16 1ws4 s VAL 45 CO 0.09 0.21 1.10 -0.55 -0.31 0.00 0.00 175.10 175.63 1ws4 s SER 46 N -2.10 4.84 0.42 4.85 0.15 -1.26 -4.82 113.70 115.78 1ws4 s SER 46 Ca 0.34 1.88 0.28 0.00 0.70 0.00 0.00 55.95 59.15 1ws4 s SER 46 Cb -0.13 -2.53 0.99 0.00 -1.71 0.00 0.00 66.02 62.64 1ws4 s SER 46 CO 0.21 -1.81 1.82 -0.26 1.20 0.00 0.00 173.24 174.40 1ws4 h PHE 47 N -0.58 0.00 -0.74 3.44 0.04 -1.16 -3.46 116.94 114.48 1ws4 h PHE 47 Ca -0.45 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 59.66 1ws4 h PHE 47 Cb 1.24 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.26 1ws4 h PHE 47 CO 0.57 0.00 -0.53 0.96 -0.60 0.00 0.00 178.31 178.70 1ws4 s ILE 48 N -3.42 1.31 0.09 -0.55 -4.36 -1.26 -5.04 121.20 107.96 1ws4 s ILE 48 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1ws4 s ILE 48 Cb 0.09 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1ws4 s ILE 48 CO 0.55 0.00 0.01 0.35 0.24 0.00 0.00 174.94 176.08 1ws4 n THR 49 N -1.18 0.00 -0.09 8.37 -2.24 -1.26 -4.89 114.28 112.99 1ws4 n THR 49 Ca -0.16 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1ws4 n THR 49 Cb 0.67 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 3.98 0.96 3.92 3.38 0.00 -1.26 -5.09 105.19 111.07 1ws4 n GLY 50 Ca -0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 3.52 -0.30 1.61 0.08 -1.26 -4.86 117.98 114.77 1ws4 s PHE 51 Ca 0.00 0.56 -0.11 0.00 0.12 0.00 0.00 56.93 57.50 1ws4 s PHE 51 Cb 0.00 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1ws4 s PHE 51 CO 0.00 -0.03 0.19 0.99 -0.10 0.00 0.00 175.22 176.26 1ws4 s THR 52 N -2.46 5.11 0.44 0.64 2.01 0.18 -4.84 115.64 116.71 1ws4 s THR 52 Ca 0.43 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 1ws4 s THR 52 Cb -0.10 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1ws4 s THR 52 CO 0.39 0.17 1.01 -2.16 -0.69 0.00 0.00 174.62 173.34 1ws4 s PRO 53 N 1.72 4.07 -0.00 4.92 0.04 -1.26 -1.46 135.00 143.02 1ws4 s PRO 53 Ca 0.06 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1ws4 s PRO 53 Cb -0.16 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 1ws4 s PRO 53 CO 0.10 -0.20 -0.03 0.08 0.04 0.00 0.00 177.00 176.98 1ws4 s VAL 54 N -1.91 0.27 -0.17 -0.36 1.01 0.96 -4.96 120.40 115.23 1ws4 s VAL 54 Ca 0.62 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1ws4 s VAL 54 Cb -0.16 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1ws4 s VAL 54 CO 0.21 0.08 -0.17 -0.75 0.00 0.00 0.00 175.10 174.47 1ws4 s LYS 55 N -0.07 2.63 -0.48 2.72 2.20 -1.26 -2.03 119.74 123.45 1ws4 s LYS 55 Ca 0.01 -0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 1ws4 s LYS 55 Cb -0.01 -2.39 0.12 0.00 -1.51 0.00 0.00 37.83 34.03 1ws4 s LYS 55 CO -0.00 -0.25 0.37 0.42 -0.36 0.00 0.00 175.35 175.53 1ws4 s ILE 56 N 1.37 4.40 -0.41 5.43 1.09 0.86 -4.98 121.20 128.96 1ws4 s ILE 56 Ca 0.04 -1.71 -0.16 0.00 -1.10 0.00 0.00 60.65 57.72 1ws4 s ILE 56 Cb -0.13 -3.87 0.02 0.00 -1.06 0.00 0.00 42.46 37.41 1ws4 s ILE 56 CO -0.11 -0.78 0.39 -0.44 -0.10 0.00 0.00 174.94 173.90 1ws4 s SER 57 N 2.81 6.17 0.34 3.58 0.01 -1.26 -1.07 113.70 124.28 1ws4 s SER 57 Ca 0.05 -0.67 -0.15 0.00 1.31 0.00 0.00 55.95 56.49 1ws4 s SER 57 Cb -0.27 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1ws4 s SER 57 CO 0.00 -0.52 0.76 -0.76 0.41 0.00 0.00 173.24 173.13 1ws4 s LEU 58 N 2.01 4.03 -1.35 2.44 1.43 -0.38 -4.97 118.68 121.89 1ws4 s LEU 58 Ca 0.10 1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 54.41 1ws4 s LEU 58 Cb -0.17 -4.12 0.11 0.00 0.03 0.00 0.00 46.19 42.04 1ws4 s LEU 58 CO 0.13 -0.24 2.11 -0.67 0.23 0.00 0.00 176.35 177.90 1ws4 n ASP 59 N -0.48 5.46 -4.76 2.29 2.03 -1.26 -4.86 116.55 114.96 1ws4 n ASP 59 Ca 0.04 -3.02 -0.41 0.00 0.52 0.00 0.00 54.79 51.92 1ws4 n ASP 59 Cb 0.53 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.95 3.00 -2.62 -0.67 5.36 -1.26 -0.94 117.98 121.80 1ws4 s PHE 60 Ca 0.45 1.30 0.25 0.00 -0.96 0.00 0.00 56.93 57.98 1ws4 s PHE 60 Cb 0.12 -3.74 0.48 0.00 -0.34 0.00 0.00 43.02 39.54 1ws4 s PHE 60 CO -0.04 -2.14 1.41 -0.35 -1.46 0.00 0.00 175.22 172.65 1ws4 n PRO 61 N 1.14 1.86 0.14 10.12 -0.04 -1.26 -4.88 135.00 142.08 1ws4 n PRO 61 Ca 0.02 -1.40 0.01 0.00 -0.04 0.00 0.00 63.50 62.09 1ws4 n PRO 61 Cb 0.41 -1.47 0.32 0.00 -0.04 0.00 0.00 33.50 32.72 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 3.40 0.13 -3.20 3.54 4.64 -1.81 -3.42 113.55 116.83 1ws4 h SER 62 Ca 0.00 -0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 60.64 1ws4 h SER 62 Cb 0.77 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 62.68 1ws4 h SER 62 CO 0.00 0.47 -0.56 -0.70 -0.87 0.00 0.00 176.83 175.17 1ws4 s GLU 63 N -4.27 3.72 0.05 4.77 2.12 -0.11 -4.95 118.70 120.03 1ws4 s GLU 63 Ca -0.04 -0.33 -0.15 0.00 0.36 0.00 0.00 54.97 54.81 1ws4 s GLU 63 Cb 0.14 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.43 1ws4 s GLU 63 CO 0.74 0.43 0.35 1.52 -0.54 0.00 0.00 175.26 177.76 1ws4 s TYR 64 N -0.06 -0.16 0.12 5.30 1.13 -1.26 -4.31 117.35 118.10 1ws4 s TYR 64 Ca 0.06 0.03 -0.31 0.00 -1.41 0.00 0.00 57.07 55.44 1ws4 s TYR 64 Cb -0.12 0.15 -0.08 0.00 -1.10 0.00 0.00 41.96 40.81 1ws4 s TYR 64 CO 0.01 -0.55 1.39 0.42 -2.51 0.00 0.00 175.55 174.31 1ws4 s ILE 65 N -2.72 3.28 -0.06 -3.49 1.01 -1.26 -2.54 121.20 115.41 1ws4 s ILE 65 Ca -0.04 0.92 0.11 0.00 0.00 0.00 0.00 60.65 61.64 1ws4 s ILE 65 Cb -0.00 -3.59 -0.17 0.00 0.01 0.00 0.00 42.46 38.71 1ws4 s ILE 65 CO -0.04 0.07 0.26 0.23 0.00 0.00 0.00 174.94 175.47 1ws4 n MET 66 N 3.89 0.62 -3.65 2.79 2.81 0.95 -4.75 117.12 119.78 1ws4 n MET 66 Ca 0.11 -0.09 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1ws4 n MET 66 Cb 0.42 -1.24 -0.08 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.76 -0.08 0.03 2.12 -0.87 -0.15 118.70 117.81 1ws4 s GLU 67 Ca -0.03 0.97 0.04 0.00 0.36 0.00 0.00 54.97 56.31 1ws4 s GLU 67 Cb 0.07 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1ws4 s GLU 67 CO 0.46 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.95 1ws4 s VAL 68 N 0.58 1.81 0.16 3.70 1.01 -0.80 -1.02 120.40 125.84 1ws4 s VAL 68 Ca -0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ws4 s VAL 68 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1ws4 s VAL 68 CO -0.03 0.51 0.14 -0.94 0.00 0.00 0.00 175.10 174.78 1ws4 s SER 69 N 0.32 0.20 0.00 3.32 1.04 -0.77 0.52 113.70 118.34 1ws4 s SER 69 Ca -0.15 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1ws4 s SER 69 Cb -0.16 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ws4 s SER 69 CO 0.07 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1ws4 n GLY 70 N -0.16 -0.97 3.04 7.32 0.00 -0.59 -0.69 105.19 113.13 1ws4 n GLY 70 Ca -0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 0.71 0.02 1.61 1.51 -0.95 -1.52 117.35 115.73 1ws4 s TYR 71 Ca 0.00 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1ws4 s TYR 71 Cb 0.00 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1ws4 s TYR 71 CO 0.00 -0.03 -0.23 0.95 -1.11 0.00 0.00 175.55 175.13 1ws4 s THR 72 N -0.79 2.37 0.20 -0.71 -4.23 -0.42 -0.23 115.64 111.84 1ws4 s THR 72 Ca -0.03 -1.20 -0.22 0.00 -1.18 0.00 0.00 61.69 59.06 1ws4 s THR 72 Cb -0.06 -1.92 0.07 0.00 1.34 0.00 0.00 72.50 71.92 1ws4 s THR 72 CO 0.00 0.44 0.98 -0.83 -0.54 0.00 0.00 174.62 174.66 1ws4 s GLY 73 N -1.08 0.02 0.00 3.99 0.00 -0.32 -0.63 107.32 109.30 1ws4 s GLY 73 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.37 1ws4 s GLY 73 CO 0.02 1.17 0.76 0.21 0.00 0.00 0.00 173.10 175.26 1ws4 s ASN 74 N -3.19 7.14 -0.14 1.64 2.47 -1.26 -1.09 114.94 120.51 1ws4 s ASN 74 Ca 0.17 1.37 -0.04 0.00 0.42 0.00 0.00 52.86 54.79 1ws4 s ASN 74 Cb -0.03 -2.45 0.05 0.00 -1.45 0.00 0.00 41.25 37.37 1ws4 s ASN 74 CO 0.05 -0.05 0.07 -0.69 -3.72 0.00 0.00 177.10 172.75 1ws4 s VAL 75 N 0.34 0.07 -1.46 -5.21 1.01 0.54 -4.83 120.40 110.86 1ws4 s VAL 75 Ca 0.39 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1ws4 s VAL 75 Cb -0.19 -0.59 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1ws4 s VAL 75 CO 0.22 -0.14 0.78 -1.20 0.00 0.00 0.00 175.10 174.76 1ws4 n SER 76 N 5.22 -5.38 0.00 3.32 7.64 -1.26 -1.38 113.62 121.78 1ws4 n SER 76 Ca -0.07 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1ws4 n SER 76 Cb 0.49 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 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 -1.59 0.70 3.30 0.23 0.00 -1.26 -5.04 105.19 101.54 1ws4 n GLY 77 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.62 2.52 -0.24 1.61 2.02 -0.48 -5.09 117.35 115.08 1ws4 s TYR 78 Ca 0.00 -0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 55.78 1ws4 s TYR 78 Cb 0.00 -1.64 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1ws4 s TYR 78 CO 0.00 -0.18 0.85 0.08 -1.57 0.00 0.00 175.55 174.73 1ws4 s VAL 79 N -0.14 4.82 0.26 0.71 1.01 -1.26 -0.34 120.40 125.46 1ws4 s VAL 79 Ca -0.04 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.59 1ws4 s VAL 79 Cb -0.14 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1ws4 s VAL 79 CO 0.04 -0.08 0.21 0.68 0.00 0.00 0.00 175.10 175.95 1ws4 s VAL 80 N 2.85 0.00 -0.48 2.92 -7.23 -0.25 -4.79 120.40 113.43 1ws4 s VAL 80 Ca 0.36 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 1ws4 s VAL 80 Cb -0.15 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.32 1ws4 s VAL 80 CO 0.07 0.00 0.94 -0.69 -0.31 0.00 0.00 175.10 175.11 1ws4 s VAL 81 N -3.84 4.44 -0.18 1.32 1.01 -0.02 -1.17 120.40 121.95 1ws4 s VAL 81 Ca 0.39 0.68 0.18 0.00 0.00 0.00 0.00 61.98 63.23 1ws4 s VAL 81 Cb 0.05 -4.47 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1ws4 s VAL 81 CO 0.18 -0.90 1.14 0.03 0.00 0.00 0.00 175.10 175.55 1ws4 h ARG 82 N 9.14 0.00 -3.03 2.72 3.08 -0.89 -2.69 114.38 122.72 1ws4 h ARG 82 Ca -0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1ws4 h ARG 82 Cb 1.07 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.94 1ws4 h ARG 82 CO 1.04 0.28 -0.22 0.45 -1.07 0.00 0.00 179.97 180.45 1ws4 s SER 83 N -5.96 -0.22 -0.01 7.04 0.15 -1.15 -1.45 113.70 112.10 1ws4 s SER 83 Ca 0.01 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1ws4 s SER 83 Cb 0.08 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1ws4 s SER 83 CO 0.77 -0.52 0.04 -0.76 1.20 0.00 0.00 173.24 173.97 1ws4 s LEU 84 N -1.56 1.90 -0.02 3.45 1.43 -0.89 -2.24 118.68 120.74 1ws4 s LEU 84 Ca -0.11 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1ws4 s LEU 84 Cb -0.03 0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.37 1ws4 s LEU 84 CO 0.02 -0.10 -0.02 -0.89 0.23 0.00 0.00 176.35 175.60 1ws4 s THR 85 N -0.37 0.25 -0.18 5.49 2.01 0.13 -1.18 115.64 121.79 1ws4 s THR 85 Ca -0.04 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1ws4 s THR 85 Cb -0.03 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1ws4 s THR 85 CO -0.00 0.12 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.50 1ws4 s PHE 86 N 0.46 2.81 -0.19 4.92 0.40 0.07 -1.85 117.98 124.59 1ws4 s PHE 86 Ca -0.05 -1.64 -0.05 0.00 -0.60 0.00 0.00 56.93 54.59 1ws4 s PHE 86 Cb -0.08 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1ws4 s PHE 86 CO -0.01 -0.80 -0.01 0.21 0.70 0.00 0.00 175.22 175.31 1ws4 s LYS 87 N 1.29 3.59 0.49 0.44 2.20 -0.19 0.21 119.74 127.77 1ws4 s LYS 87 Ca 0.05 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1ws4 s LYS 87 Cb -0.13 -3.04 0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1ws4 s LYS 87 CO -0.12 0.02 0.43 0.25 -0.36 0.00 0.00 175.35 175.57 1ws4 n THR 88 N 4.20 0.00 1.31 3.43 -2.24 0.63 -0.04 114.28 121.56 1ws4 n THR 88 Ca -0.17 -1.88 0.12 0.00 -2.27 0.00 0.00 64.05 59.84 1ws4 n THR 88 Cb 0.52 -0.18 0.65 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.96 0.00 -0.01 3.42 6.94 -1.05 -3.79 115.26 118.80 1ws4 n ASN 89 Ca 0.01 -0.43 -0.02 0.00 -0.02 0.00 0.00 54.58 54.13 1ws4 n ASN 89 Cb 0.55 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.83 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 -1.13 0.18 -4.05 -3.83 5.02 -1.26 -5.06 118.16 108.03 1ws4 n LYS 90 Ca 0.15 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 1ws4 n LYS 90 Cb 0.13 -1.05 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.05 1.69 -0.14 1.97 1.02 -1.25 -5.15 119.74 115.83 1ws4 s LYS 91 Ca -0.04 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1ws4 s LYS 91 Cb 0.01 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 1ws4 s LYS 91 CO 0.06 -0.69 -0.15 0.99 -0.92 0.00 0.00 175.35 174.64 1ws4 s THR 92 N -3.56 2.78 -0.26 2.17 2.01 -1.26 -0.27 115.64 117.25 1ws4 s THR 92 Ca 0.28 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1ws4 s THR 92 Cb 0.00 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1ws4 s THR 92 CO 0.14 0.52 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.27 1ws4 s TYR 93 N 0.63 3.07 0.00 4.92 1.51 0.13 -5.00 117.35 122.62 1ws4 s TYR 93 Ca -0.08 -1.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.78 1ws4 s TYR 93 Cb -0.16 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 1ws4 s TYR 93 CO 0.03 -0.63 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 1ws4 n GLY 94 N 4.77 -0.15 3.77 0.71 0.00 -1.26 -0.75 105.19 112.28 1ws4 n GLY 94 Ca -0.16 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 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 3.67 -0.20 1.61 0.04 -1.26 -4.98 135.00 133.88 1ws4 s PRO 95 Ca 0.00 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1ws4 s PRO 95 Cb 0.00 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ws4 s PRO 95 CO 0.00 -0.62 -0.08 0.71 0.04 0.00 0.00 177.00 177.05 1ws4 s TYR 96 N -1.57 2.91 0.00 0.56 2.02 -0.33 -4.96 117.35 115.98 1ws4 s TYR 96 Ca 0.65 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1ws4 s TYR 96 Cb -0.28 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1ws4 s TYR 96 CO 0.34 -0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 1ws4 n GLY 97 N 4.62 0.24 3.20 0.71 0.00 -1.26 -2.10 105.19 110.59 1ws4 n GLY 97 Ca -0.19 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 2.59 -1.36 1.61 1.01 -0.53 -4.82 120.40 118.89 1ws4 s VAL 98 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1ws4 s VAL 98 Cb 0.00 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.36 1ws4 s VAL 98 CO 0.00 0.50 2.24 0.35 0.00 0.00 0.00 175.10 178.18 1ws4 n THR 99 N 4.62 4.58 -4.45 3.92 -2.24 -1.26 -3.85 114.28 115.59 1ws4 n THR 99 Ca -0.20 -4.00 -0.20 0.00 -2.27 0.00 0.00 64.05 57.38 1ws4 n THR 99 Cb 0.50 -2.31 -0.15 0.00 -2.10 0.00 0.00 70.33 66.28 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 1.08 1.27 0.00 3.42 0.15 -1.26 -5.07 113.70 113.29 1ws4 s SER 100 Ca 0.49 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1ws4 s SER 100 Cb 0.14 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ws4 s SER 100 CO -0.05 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ws4 n GLY 101 N 2.75 0.04 3.47 9.45 0.00 -1.26 -4.48 105.19 115.16 1ws4 n GLY 101 Ca -0.14 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 4.30 0.65 2.61 2.01 0.20 -4.91 115.64 120.50 1ws4 s THR 102 Ca 0.00 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1ws4 s THR 102 Cb 0.00 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1ws4 s THR 102 CO 0.00 0.37 1.05 -2.16 -0.69 0.00 0.00 174.62 173.19 1ws4 s PRO 103 N 1.33 3.32 0.05 4.92 0.04 -1.26 -1.30 135.00 142.10 1ws4 s PRO 103 Ca 0.05 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 1ws4 s PRO 103 Cb -0.15 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ws4 s PRO 103 CO 0.03 -0.78 0.34 -0.59 0.04 0.00 0.00 177.00 176.04 1ws4 s PHE 104 N -3.16 -0.15 -0.23 0.56 -0.12 -0.57 -4.92 117.98 109.38 1ws4 s PHE 104 Ca 0.56 0.04 -0.25 0.00 -0.05 0.00 0.00 56.93 57.23 1ws4 s PHE 104 Cb -0.12 0.14 0.07 0.00 -0.63 0.00 0.00 43.02 42.48 1ws4 s PHE 104 CO 0.54 -0.53 0.69 0.54 -0.05 0.00 0.00 175.22 176.41 1ws4 s ASN 105 N -2.08 -0.71 -0.38 1.98 4.22 -1.26 -1.54 114.94 115.17 1ws4 s ASN 105 Ca -0.05 1.30 0.02 0.00 -2.14 0.00 0.00 52.86 51.99 1ws4 s ASN 105 Cb -0.01 1.29 0.12 0.00 1.28 0.00 0.00 41.25 43.93 1ws4 s ASN 105 CO -0.03 -0.30 0.15 -0.22 -2.04 0.00 0.00 177.10 174.66 1ws4 s LEU 106 N 0.13 3.13 0.21 3.54 2.96 0.19 -4.98 118.68 123.85 1ws4 s LEU 106 Ca -0.02 -2.23 -0.16 0.00 -0.22 0.00 0.00 54.13 51.50 1ws4 s LEU 106 Cb -0.04 -1.16 -0.08 0.00 0.50 0.00 0.00 46.19 45.41 1ws4 s LEU 106 CO 0.02 -0.34 0.64 -2.84 -1.32 0.00 0.00 176.35 172.52 1ws4 s PRO 107 N 0.83 4.07 -0.19 0.98 0.02 -1.26 -1.90 135.00 137.56 1ws4 s PRO 107 Ca 0.13 0.64 0.01 0.00 0.02 0.00 0.00 61.00 61.81 1ws4 s PRO 107 Cb -0.21 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.52 1ws4 s PRO 107 CO -0.10 0.39 -0.19 0.42 -0.33 0.00 0.00 177.00 177.19 1ws4 s ILE 108 N -1.59 2.06 -0.03 2.83 -1.09 0.79 -4.97 121.20 119.20 1ws4 s ILE 108 Ca 0.43 -1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 57.69 1ws4 s ILE 108 Cb -0.15 -1.90 -0.32 0.00 -1.58 0.00 0.00 42.46 38.51 1ws4 s ILE 108 CO 0.20 0.46 0.79 -0.33 -1.23 0.00 0.00 174.94 174.83 1ws4 h GLU 109 N 7.92 0.43 -3.10 2.79 5.08 -1.98 -3.46 114.58 122.26 1ws4 h GLU 109 Ca -0.42 -0.73 -0.25 0.00 -1.00 0.00 0.00 59.36 56.96 1ws4 h GLU 109 Cb 1.13 0.27 -0.33 0.00 0.50 0.00 0.00 28.75 30.32 1ws4 h GLU 109 CO 0.61 1.35 -0.58 1.21 -1.00 0.00 0.00 179.01 180.60 1ws4 s ASN 110 N -7.36 0.21 0.00 1.42 3.04 -1.26 -5.12 114.94 105.87 1ws4 s ASN 110 Ca -0.14 0.39 0.00 0.00 0.04 0.00 0.00 52.86 53.15 1ws4 s ASN 110 Cb 0.04 0.33 0.00 0.00 -1.54 0.00 0.00 41.25 40.08 1ws4 s ASN 110 CO 0.88 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.35 1ws4 n GLY 111 N 4.74 0.93 3.01 1.21 0.00 -1.26 -4.98 105.19 108.84 1ws4 n GLY 111 Ca -0.16 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.54 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 2.23 -0.11 0.99 1.43 0.93 -4.97 118.68 119.17 1ws4 s LEU 112 Ca 0.00 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 1ws4 s LEU 112 Cb 0.00 0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1ws4 s LEU 112 CO 0.00 -0.37 0.74 -0.63 0.23 0.00 0.00 176.35 176.32 1ws4 s ILE 113 N -1.96 4.99 -0.01 -0.59 1.09 -1.26 -1.29 121.20 122.17 1ws4 s ILE 113 Ca -0.11 1.48 0.02 0.00 -1.10 0.00 0.00 60.65 60.94 1ws4 s ILE 113 Cb -0.06 -4.06 0.03 0.00 -1.06 0.00 0.00 42.46 37.31 1ws4 s ILE 113 CO -0.03 0.16 0.90 1.33 -0.10 0.00 0.00 174.94 177.21 1ws4 n VAL 114 N 4.19 0.82 0.00 2.92 0.24 0.16 -4.54 118.33 122.13 1ws4 n VAL 114 Ca 0.01 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1ws4 n VAL 114 Cb 0.50 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.47 0.66 3.08 7.63 0.00 -1.24 -0.15 105.19 114.71 1ws4 n GLY 115 Ca 0.02 -0.68 -0.13 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 0.74 0.07 1.61 0.08 -1.25 -1.14 117.98 116.08 1ws4 s PHE 116 Ca 0.00 -0.53 -0.12 0.00 0.12 0.00 0.00 56.93 56.40 1ws4 s PHE 116 Cb 0.00 -0.44 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 1ws4 s PHE 116 CO 0.00 -0.08 0.26 -1.59 -0.10 0.00 0.00 175.22 173.71 1ws4 s LYS 117 N -1.78 0.83 0.00 0.44 -2.85 -1.02 -1.14 119.74 114.22 1ws4 s LYS 117 Ca -0.07 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 1ws4 s LYS 117 Cb -0.09 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1ws4 s LYS 117 CO 0.00 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1ws4 n GLY 118 N 0.29 -0.64 3.33 0.59 0.00 -0.24 -0.56 105.19 107.97 1ws4 n GLY 118 Ca -0.17 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.45 -0.05 1.61 0.15 -0.76 -0.41 113.70 109.79 1ws4 s SER 119 Ca 0.00 0.86 0.01 0.00 0.70 0.00 0.00 55.95 57.52 1ws4 s SER 119 Cb 0.00 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.21 1ws4 s SER 119 CO 0.00 -0.16 -0.04 -0.63 1.20 0.00 0.00 173.24 173.61 1ws4 s ILE 120 N 0.19 0.55 0.00 6.45 1.01 -0.74 -0.26 121.20 128.40 1ws4 s ILE 120 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1ws4 s ILE 120 Cb -0.03 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.86 1ws4 s ILE 120 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1ws4 n GLY 121 N 4.13 1.39 0.23 6.18 0.00 -1.26 -0.99 105.19 114.87 1ws4 n GLY 121 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.92 -4.00 1.61 -1.99 -1.94 0.23 116.97 111.79 1ws4 h TYR 122 Ca 0.00 -0.32 -0.37 0.00 2.00 0.00 0.00 58.73 60.04 1ws4 h TYR 122 Cb 0.00 -0.17 -0.14 0.00 2.00 0.00 0.00 36.73 38.41 1ws4 h TYR 122 CO 0.00 1.11 -0.59 -1.58 -0.00 0.00 0.00 178.16 177.10 1ws4 s TRP 123 N -4.08 1.51 -0.38 4.88 0.51 -1.26 -4.46 118.94 115.65 1ws4 s TRP 123 Ca -0.09 -1.31 -0.28 0.00 -2.12 0.00 0.00 56.10 52.30 1ws4 s TRP 123 Cb 0.11 -0.82 -0.02 0.00 -0.81 0.00 0.00 33.47 31.92 1ws4 s TRP 123 CO 0.87 -0.48 1.86 -1.17 -0.51 0.00 0.00 176.95 177.51 1ws4 s LEU 124 N -3.32 3.46 0.04 2.99 2.96 -0.45 -4.43 118.68 119.93 1ws4 s LEU 124 Ca 0.37 1.14 -0.21 0.00 -0.22 0.00 0.00 54.13 55.21 1ws4 s LEU 124 Cb 0.06 -3.28 -0.14 0.00 0.50 0.00 0.00 46.19 43.34 1ws4 s LEU 124 CO 0.16 -1.90 1.40 0.44 -1.32 0.00 0.00 176.35 175.13 1ws4 h ASP 125 N 13.70 0.29 -5.05 3.68 3.32 -0.93 -0.01 116.42 131.41 1ws4 h ASP 125 Ca -0.32 -0.40 0.17 0.00 0.02 0.00 0.00 57.03 56.50 1ws4 h ASP 125 Cb 1.18 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 1ws4 h ASP 125 CO 1.07 0.63 0.55 -0.72 -1.72 0.00 0.00 179.24 179.05 1ws4 s TYR 126 N -4.61 -0.20 0.11 4.55 -0.85 -1.22 -4.23 117.35 110.89 1ws4 s TYR 126 Ca -0.14 -0.01 -0.23 0.00 -0.52 0.00 0.00 57.07 56.18 1ws4 s TYR 126 Cb 0.05 0.58 0.06 0.00 0.38 0.00 0.00 41.96 43.04 1ws4 s TYR 126 CO 0.73 -0.62 0.56 -0.59 -1.52 0.00 0.00 175.55 174.11 1ws4 s PHE 127 N -3.07 -0.47 0.20 -3.49 -0.71 -1.26 -1.83 117.98 107.34 1ws4 s PHE 127 Ca 0.10 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.38 1ws4 s PHE 127 Cb -0.01 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1ws4 s PHE 127 CO -0.03 -0.76 0.00 -1.12 -1.34 0.00 0.00 175.22 171.98 1ws4 s SER 128 N -2.43 1.43 0.01 1.98 0.01 0.28 -4.96 113.70 110.01 1ws4 s SER 128 Ca -0.01 -1.20 0.04 0.00 1.31 0.00 0.00 55.95 56.09 1ws4 s SER 128 Cb -0.00 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1ws4 s SER 128 CO -0.08 -0.55 -0.11 -0.04 0.41 0.00 0.00 173.24 172.86 1ws4 s MET 129 N -3.90 0.85 -0.01 12.44 -1.94 -1.26 -2.45 119.30 123.03 1ws4 s MET 129 Ca 0.26 -0.50 -0.20 0.00 -1.71 0.00 0.00 55.69 53.54 1ws4 s MET 129 Cb 0.06 -0.82 -0.05 0.00 2.01 0.00 0.00 34.83 36.03 1ws4 s MET 129 CO 0.06 0.22 0.58 0.71 -0.01 0.00 0.00 175.02 176.58 1ws4 s TYR 130 N -0.48 3.67 0.05 -0.03 1.51 -0.29 -4.98 117.35 116.80 1ws4 s TYR 130 Ca 0.02 1.17 0.09 0.00 -1.01 0.00 0.00 57.07 57.34 1ws4 s TYR 130 Cb -0.05 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1ws4 s TYR 130 CO 0.00 0.35 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.04 1ws4 s LEU 131 N -0.17 2.18 0.20 -1.29 1.43 -1.26 -0.67 118.68 119.10 1ws4 s LEU 131 Ca 0.30 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 1ws4 s LEU 131 Cb -0.18 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.93 1ws4 s LEU 131 CO 0.17 0.21 0.66 -0.55 0.23 0.00 0.00 176.35 177.07 1ws4 s SER 132 N -1.28 -0.44 0.00 2.29 0.15 -0.41 -4.92 113.70 109.09 1ws4 s SER 132 Ca 0.10 -0.24 0.29 0.00 0.70 0.00 0.00 55.95 56.81 1ws4 s SER 132 Cb -0.10 0.64 1.34 0.00 -1.71 0.00 0.00 66.02 66.19 1ws4 s SER 132 CO 0.02 -1.10 1.91 0.18 1.20 0.00 0.00 173.24 175.44