#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws8 n ALA 2 N 0.00 0.67 -2.64 3.17 0.00 -1.26 -4.99 120.51 115.45 1ws8 n ALA 2 Ca 0.00 0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.46 1ws8 n ALA 2 Cb 0.00 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.15 1ws8 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ws8 s THR 3 N -1.26 1.13 -0.26 0.00 2.01 -1.26 -4.98 115.64 111.02 1ws8 s THR 3 Ca 0.63 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1ws8 s THR 3 Cb -0.53 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1ws8 s THR 3 CO 0.56 0.02 0.23 -0.69 -0.69 0.00 0.00 174.62 174.06 1ws8 s VAL 4 N -0.83 5.29 -0.31 3.82 1.01 -1.26 -1.53 120.40 126.59 1ws8 s VAL 4 Ca 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1ws8 s VAL 4 Cb -0.08 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1ws8 s VAL 4 CO 0.01 0.26 0.18 -1.00 0.00 0.00 0.00 175.10 174.55 1ws8 s HIS 5 N 1.59 3.19 -0.46 5.22 0.09 0.19 -4.96 115.29 120.15 1ws8 s HIS 5 Ca 0.10 -0.36 -0.26 0.00 -0.00 0.00 0.00 55.06 54.54 1ws8 s HIS 5 Cb -0.15 -2.38 0.03 0.00 -0.00 0.00 0.00 32.58 30.07 1ws8 s HIS 5 CO 0.09 -0.38 0.96 0.15 -0.00 0.00 0.00 174.74 175.56 1ws8 s LYS 6 N 1.67 3.57 0.03 1.40 1.02 -1.26 -0.68 119.74 125.48 1ws8 s LYS 6 Ca 0.05 0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.98 1ws8 s LYS 6 Cb -0.17 -3.92 -0.09 0.00 -0.52 0.00 0.00 37.83 33.13 1ws8 s LYS 6 CO 0.08 -1.25 1.97 0.28 -0.92 0.00 0.00 175.35 175.51 1ws8 n VAL 7 N 6.49 0.75 -0.87 3.17 0.31 -0.65 -0.96 118.33 126.57 1ws8 n VAL 7 Ca 0.07 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1ws8 n VAL 7 Cb 0.49 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1ws8 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws8 n GLY 8 N 4.54 0.69 7.00 2.92 0.00 -1.26 -3.73 105.19 115.34 1ws8 n GLY 8 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ws8 n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ws8 n ASP 9 N 0.00 0.00 0.30 1.61 8.00 -0.13 -1.08 116.55 125.25 1ws8 n ASP 9 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 1ws8 n ASP 9 Cb 0.00 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 41.99 1ws8 n ASP 9 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ws8 h SER 10 N 2.17 0.00 0.75 -2.24 4.64 -1.90 -2.61 113.55 114.36 1ws8 h SER 10 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1ws8 h SER 10 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ws8 h SER 10 CO 0.00 0.02 -0.79 0.74 -0.87 0.00 0.00 176.83 175.93 1ws8 h THR 11 N 0.00 1.55 -0.37 2.95 2.02 -1.43 -3.49 112.91 114.13 1ws8 h THR 11 Ca -0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1ws8 h THR 11 Cb 0.30 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1ws8 h THR 11 CO 0.00 0.76 0.00 0.61 0.37 0.00 0.00 175.52 177.27 1ws8 n GLY 12 N 0.74 -1.14 3.43 2.16 0.00 -0.99 -4.63 105.19 104.75 1ws8 n GLY 12 Ca -0.01 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 1ws8 n GLY 12 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ws8 s TRP 13 N 0.00 3.17 0.29 1.61 -0.00 -0.66 -4.36 118.94 118.98 1ws8 s TRP 13 Ca 0.00 -0.67 -0.14 0.00 -0.00 0.00 0.00 56.10 55.29 1ws8 s TRP 13 Cb 0.00 -3.20 0.01 0.00 -0.00 0.00 0.00 33.47 30.28 1ws8 s TRP 13 CO 0.00 -0.84 0.59 -0.08 -0.00 0.00 0.00 176.95 176.61 1ws8 s THR 14 N 2.06 0.00 0.00 5.86 -1.32 -1.26 -4.54 115.64 116.45 1ws8 s THR 14 Ca 0.09 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 1ws8 s THR 14 Cb -0.21 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1ws8 s THR 14 CO 0.10 0.00 0.55 0.35 -2.21 0.00 0.00 174.62 173.41 1ws8 n THR 15 N -0.45 0.30 -0.31 5.08 -2.24 -1.26 -4.82 114.28 110.58 1ws8 n THR 15 Ca -0.03 -0.39 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1ws8 n THR 15 Cb 0.61 1.05 0.16 0.00 -2.10 0.00 0.00 70.33 70.05 1ws8 n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ws8 h LEU 16 N 0.00 0.77 -8.38 3.22 6.46 -1.99 -3.43 115.31 111.96 1ws8 h LEU 16 Ca 0.00 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 1ws8 h LEU 16 Cb 0.56 -0.12 -0.15 0.00 -0.73 0.00 0.00 40.66 40.22 1ws8 h LEU 16 CO 0.00 0.46 -0.68 0.68 -0.62 0.00 0.00 178.44 178.28 1ws8 s VAL 17 N -6.04 0.43 0.42 1.05 -7.23 -1.26 -5.13 120.40 102.65 1ws8 s VAL 17 Ca -0.12 -1.89 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 1ws8 s VAL 17 Cb 0.19 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 35.35 1ws8 s VAL 17 CO 0.79 -0.85 1.30 -2.84 -0.31 0.00 0.00 175.10 173.19 1ws8 s PRO 18 N -3.90 3.91 -0.12 4.82 0.02 -1.26 -4.99 135.00 133.48 1ws8 s PRO 18 Ca 0.12 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.21 1ws8 s PRO 18 Cb 0.07 -2.71 0.05 0.00 0.02 0.00 0.00 34.50 31.93 1ws8 s PRO 18 CO -0.05 -0.53 0.28 -0.47 -0.33 0.00 0.00 177.00 175.89 1ws8 s TYR 19 N -1.28 -0.39 -0.84 6.54 5.04 -1.26 -5.10 117.35 120.05 1ws8 s TYR 19 Ca 0.58 0.90 -0.21 0.00 -2.44 0.00 0.00 57.07 55.89 1ws8 s TYR 19 Cb -0.37 0.09 0.09 0.00 0.35 0.00 0.00 41.96 42.11 1ws8 s TYR 19 CO 0.48 -0.26 1.14 0.34 -1.34 0.00 0.00 175.55 175.91 1ws8 s ASP 20 N 1.35 6.42 0.49 4.32 -1.08 -1.26 -4.84 116.67 122.06 1ws8 s ASP 20 Ca -0.09 -1.48 0.27 0.00 -0.52 0.00 0.00 52.55 50.74 1ws8 s ASP 20 Cb -0.10 -2.45 1.14 0.00 -1.46 0.00 0.00 42.92 40.05 1ws8 s ASP 20 CO -0.09 -1.32 1.91 1.88 0.52 0.00 0.00 175.17 178.06 1ws8 h TYR 21 N 9.34 0.00 -0.44 -5.34 -1.99 -1.83 -2.62 116.97 114.09 1ws8 h TYR 21 Ca -0.01 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 1ws8 h TYR 21 Cb 1.04 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.75 1ws8 h TYR 21 CO 1.12 0.15 -0.19 0.00 -0.00 0.00 0.00 178.16 179.23 1ws8 h ALA 22 N 1.85 0.83 -0.05 3.88 0.00 -1.88 -0.79 119.26 123.11 1ws8 h ALA 22 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1ws8 h ALA 22 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ws8 h ALA 22 CO 0.02 0.64 -0.66 0.87 0.00 0.00 0.00 179.25 180.13 1ws8 h LYS 23 N 0.76 0.20 -0.21 0.00 1.57 -1.90 -1.72 116.57 115.27 1ws8 h LYS 23 Ca 0.11 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ws8 h LYS 23 Cb 0.72 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ws8 h LYS 23 CO 0.06 0.79 0.08 2.35 -0.57 0.00 0.00 179.45 182.15 1ws8 h TRP 24 N 0.14 0.32 -0.78 -1.35 7.01 -1.13 -2.10 115.95 118.05 1ws8 h TRP 24 Ca -0.01 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1ws8 h TRP 24 Cb 1.18 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 28.11 1ws8 h TRP 24 CO 0.02 0.36 0.50 0.00 -2.79 0.00 0.00 178.44 176.53 1ws8 h ALA 25 N 0.92 0.99 0.00 2.65 0.00 -1.01 -2.39 119.26 120.42 1ws8 h ALA 25 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ws8 h ALA 25 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ws8 h ALA 25 CO -0.01 0.43 -0.19 0.77 0.00 0.00 0.00 179.25 180.26 1ws8 h SER 26 N 1.06 0.00 0.09 0.00 0.02 -1.12 -2.05 113.55 111.56 1ws8 h SER 26 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1ws8 h SER 26 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1ws8 h SER 26 CO -0.06 0.19 -0.02 -1.54 -1.14 0.00 0.00 176.83 174.26 1ws8 n SER 27 N -3.76 0.53 -4.54 3.07 3.41 -0.81 -4.84 113.62 106.68 1ws8 n SER 27 Ca -0.02 -1.03 -0.24 0.00 -0.26 0.00 0.00 58.87 57.32 1ws8 n SER 27 Cb 0.30 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 1ws8 n SER 27 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ws8 s ASN 28 N -2.12 4.02 -0.20 4.04 0.01 -0.77 -5.10 114.94 114.82 1ws8 s ASN 28 Ca 0.40 -0.80 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1ws8 s ASN 28 Cb 0.21 -0.56 0.04 0.00 0.41 0.00 0.00 41.25 41.35 1ws8 s ASN 28 CO 0.39 0.05 -0.13 -0.54 -1.51 0.00 0.00 177.10 175.35 1ws8 s LYS 29 N -3.36 2.28 -0.22 -0.60 1.02 -1.26 -4.97 119.74 112.62 1ws8 s LYS 29 Ca 0.29 -0.89 -0.11 0.00 0.02 0.00 0.00 55.97 55.28 1ws8 s LYS 29 Cb -0.06 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1ws8 s LYS 29 CO 0.16 -0.39 0.16 -0.06 -0.92 0.00 0.00 175.35 174.30 1ws8 s PHE 30 N 1.34 3.37 0.17 3.18 0.40 -1.26 -5.06 117.98 120.12 1ws8 s PHE 30 Ca -0.01 0.30 0.11 0.00 -0.60 0.00 0.00 56.93 56.73 1ws8 s PHE 30 Cb -0.16 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1ws8 s PHE 30 CO -0.09 0.18 -0.23 -1.01 0.70 0.00 0.00 175.22 174.77 1ws8 s HIS 31 N 0.70 2.36 0.28 0.36 3.76 -1.26 -0.92 115.29 120.57 1ws8 s HIS 31 Ca 0.08 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1ws8 s HIS 31 Cb -0.12 -1.20 -0.12 0.00 1.11 0.00 0.00 32.58 32.24 1ws8 s HIS 31 CO 0.01 0.45 1.53 0.28 -0.85 0.00 0.00 174.74 176.17 1ws8 n VAL 32 N 0.46 1.02 0.00 -0.90 0.31 -1.26 -1.19 118.33 116.76 1ws8 n VAL 32 Ca -0.14 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1ws8 n VAL 32 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1ws8 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws8 n GLY 33 N 2.14 2.86 3.82 2.92 0.00 -0.13 -4.95 105.19 111.85 1ws8 n GLY 33 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ws8 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws8 s ASP 34 N -1.33 3.73 0.06 1.61 1.01 -0.33 -4.53 116.67 116.89 1ws8 s ASP 34 Ca 0.00 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.16 1ws8 s ASP 34 Cb 0.00 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1ws8 s ASP 34 CO 0.00 -2.41 -0.05 -0.44 0.21 0.00 0.00 175.17 172.49 1ws8 s SER 35 N -4.19 0.74 -0.04 0.27 0.01 -0.58 -1.30 113.70 108.61 1ws8 s SER 35 Ca 0.64 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1ws8 s SER 35 Cb -0.13 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 1ws8 s SER 35 CO 0.52 -0.48 -0.09 -0.76 0.41 0.00 0.00 173.24 172.84 1ws8 s LEU 36 N -2.67 3.02 -0.20 2.44 1.43 0.16 -0.64 118.68 122.22 1ws8 s LEU 36 Ca 0.05 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1ws8 s LEU 36 Cb 0.03 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1ws8 s LEU 36 CO -0.06 0.34 -0.14 -0.22 0.23 0.00 0.00 176.35 176.49 1ws8 s LEU 37 N -0.95 2.40 -0.34 1.79 2.96 0.14 -0.81 118.68 123.88 1ws8 s LEU 37 Ca 0.13 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 53.07 1ws8 s LEU 37 Cb -0.11 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1ws8 s LEU 37 CO 0.03 -0.10 0.20 -0.36 -1.32 0.00 0.00 176.35 174.80 1ws8 s PHE 38 N 1.31 3.21 -0.20 5.38 0.40 -0.26 -1.64 117.98 126.18 1ws8 s PHE 38 Ca -0.00 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 55.69 1ws8 s PHE 38 Cb -0.16 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 1ws8 s PHE 38 CO -0.09 -0.49 0.03 -0.80 0.70 0.00 0.00 175.22 174.57 1ws8 s ASN 39 N 1.63 5.12 0.18 1.36 0.02 -1.26 -1.87 114.94 120.11 1ws8 s ASN 39 Ca 0.04 -0.12 -0.24 0.00 -1.02 0.00 0.00 52.86 51.52 1ws8 s ASN 39 Cb -0.18 -1.88 0.05 0.00 0.02 0.00 0.00 41.25 39.26 1ws8 s ASN 39 CO 0.08 0.08 0.91 -0.72 0.02 0.00 0.00 177.10 177.46 1ws8 s TYR 40 N 0.92 -0.15 -0.46 2.20 -0.85 -0.51 -1.66 117.35 116.85 1ws8 s TYR 40 Ca 0.02 -0.19 -0.25 0.00 -0.52 0.00 0.00 57.07 56.13 1ws8 s TYR 40 Cb -0.14 0.65 0.03 0.00 0.38 0.00 0.00 41.96 42.88 1ws8 s TYR 40 CO 0.02 -0.92 0.90 1.21 -1.52 0.00 0.00 175.55 175.24 1ws8 s ASN 41 N -2.93 6.48 0.00 -0.18 3.84 -1.26 -4.46 114.94 116.42 1ws8 s ASN 41 Ca 0.12 0.06 0.08 0.00 0.21 0.00 0.00 52.86 53.33 1ws8 s ASN 41 Cb -0.02 -2.44 0.50 0.00 -0.55 0.00 0.00 41.25 38.74 1ws8 s ASN 41 CO 0.03 -1.03 0.94 -0.46 -2.79 0.00 0.00 177.10 173.79 1ws8 n ASN 42 N 7.08 0.00 0.05 -4.21 2.04 -1.26 -1.32 115.26 117.64 1ws8 n ASN 42 Ca 0.05 -0.66 0.12 0.00 -0.44 0.00 0.00 54.58 53.66 1ws8 n ASN 42 Cb 0.48 0.00 0.17 0.00 -2.53 0.00 0.00 39.78 37.90 1ws8 n ASN 42 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1ws8 n LYS 43 N -0.79 0.26 -0.00 -3.83 4.76 -1.26 -4.30 118.16 113.00 1ws8 n LYS 43 Ca 0.06 0.07 0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1ws8 n LYS 43 Cb 0.03 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 31.55 1ws8 n LYS 43 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ws8 n PHE 44 N -2.02 0.00 -4.20 2.13 3.01 -0.43 -5.10 117.46 110.84 1ws8 n PHE 44 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.36 1ws8 n PHE 44 Cb 0.43 -0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.76 1ws8 n PHE 44 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1ws8 s HIS 45 N -2.12 1.24 0.36 1.38 3.76 -0.98 -4.88 115.29 114.05 1ws8 s HIS 45 Ca -0.01 -1.40 -0.09 0.00 -0.15 0.00 0.00 55.06 53.41 1ws8 s HIS 45 Cb 0.01 -0.54 0.03 0.00 1.11 0.00 0.00 32.58 33.19 1ws8 s HIS 45 CO 0.08 -0.72 0.62 0.54 -0.85 0.00 0.00 174.74 174.41 1ws8 s ASN 46 N -3.20 0.45 -0.08 1.40 6.03 -1.26 -4.51 114.94 113.77 1ws8 s ASN 46 Ca 0.38 -1.30 0.00 0.00 -1.03 0.00 0.00 52.86 50.92 1ws8 s ASN 46 Cb 0.05 0.75 0.02 0.00 -3.03 0.00 0.00 41.25 39.05 1ws8 s ASN 46 CO 0.15 -1.47 -0.08 -0.69 -2.03 0.00 0.00 177.10 172.98 1ws8 s VAL 47 N -2.76 0.92 -0.03 3.54 1.01 -0.43 -4.25 120.40 118.40 1ws8 s VAL 47 Ca 0.23 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1ws8 s VAL 47 Cb -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1ws8 s VAL 47 CO 0.16 0.33 -0.24 -0.76 0.00 0.00 0.00 175.10 174.59 1ws8 s LEU 48 N 1.31 2.04 -0.17 3.92 1.43 0.28 -0.46 118.68 127.03 1ws8 s LEU 48 Ca -0.03 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 1ws8 s LEU 48 Cb -0.14 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1ws8 s LEU 48 CO -0.03 0.28 0.26 -1.58 0.23 0.00 0.00 176.35 175.51 1ws8 s GLN 49 N -0.46 4.23 0.37 1.70 0.74 -0.10 -1.28 119.66 124.85 1ws8 s GLN 49 Ca 0.06 0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.55 1ws8 s GLN 49 Cb -0.10 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 1ws8 s GLN 49 CO 0.00 0.26 0.20 0.14 -0.55 0.00 0.00 175.29 175.35 1ws8 s VAL 50 N 0.41 0.28 0.62 1.34 -7.23 -0.62 -0.59 120.40 114.61 1ws8 s VAL 50 Ca 0.15 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1ws8 s VAL 50 Cb -0.13 -2.41 0.10 0.00 0.56 0.00 0.00 36.38 34.51 1ws8 s VAL 50 CO 0.03 0.00 0.86 1.51 -0.31 0.00 0.00 175.10 177.19 1ws8 s ASP 51 N -3.49 4.84 0.20 4.85 1.47 -1.26 -3.99 116.67 119.29 1ws8 s ASP 51 Ca 0.32 -0.70 -0.10 0.00 1.18 0.00 0.00 52.55 53.25 1ws8 s ASP 51 Cb 0.02 0.21 0.20 0.00 -0.34 0.00 0.00 42.92 43.02 1ws8 s ASP 51 CO 0.21 -1.52 1.81 -0.61 0.68 0.00 0.00 175.17 175.73 1ws8 h GLN 52 N -0.06 0.65 -0.40 2.11 4.15 -1.97 -0.49 115.11 119.11 1ws8 h GLN 52 Ca -0.32 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 1ws8 h GLN 52 Cb 1.28 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1ws8 h GLN 52 CO 0.40 0.43 0.16 1.49 -1.93 0.00 0.00 178.83 179.38 1ws8 h GLU 53 N 0.67 0.59 -0.38 1.69 4.81 -2.00 -1.37 114.58 118.60 1ws8 h GLU 53 Ca 0.28 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1ws8 h GLU 53 Cb 0.14 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1ws8 h GLU 53 CO -0.16 0.56 -0.12 1.96 -0.73 0.00 0.00 179.01 180.52 1ws8 h GLN 54 N 0.50 0.68 -0.00 1.92 4.20 -1.82 -2.47 115.11 118.11 1ws8 h GLN 54 Ca 0.13 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ws8 h GLN 54 Cb 0.19 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ws8 h GLN 54 CO -0.01 0.78 0.00 0.35 -0.67 0.00 0.00 178.83 179.28 1ws8 h PHE 55 N 0.62 0.00 -0.35 2.96 3.57 -0.78 0.27 116.94 123.22 1ws8 h PHE 55 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1ws8 h PHE 55 Cb 0.57 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1ws8 h PHE 55 CO 0.03 0.06 0.01 0.87 -2.23 0.00 0.00 178.31 177.05 1ws8 h LYS 56 N -0.06 0.55 -0.29 1.11 1.57 -1.13 -2.67 116.57 115.65 1ws8 h LYS 56 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ws8 h LYS 56 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ws8 h LYS 56 CO -0.00 0.56 0.00 -1.13 -0.57 0.00 0.00 179.45 178.31 1ws8 n SER 57 N -4.28 2.83 -3.77 0.86 3.41 -0.94 -4.95 113.62 106.77 1ws8 n SER 57 Ca 0.02 -1.90 -0.27 0.00 -0.26 0.00 0.00 58.87 56.46 1ws8 n SER 57 Cb 0.24 -0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1ws8 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ws8 s ASN 59 N -3.50 6.45 -0.13 0.00 3.84 0.67 -4.91 114.94 117.36 1ws8 s ASN 59 Ca 0.53 0.21 0.15 0.00 0.21 0.00 0.00 52.86 53.96 1ws8 s ASN 59 Cb -0.25 -2.33 0.43 0.00 -0.55 0.00 0.00 41.25 38.54 1ws8 s ASN 59 CO 0.79 -0.58 1.33 -1.54 -2.79 0.00 0.00 177.10 174.32 1ws8 n SER 60 N 6.03 3.39 0.19 -4.21 3.41 -1.26 -4.68 113.62 116.49 1ws8 n SER 60 Ca -0.01 -2.82 0.08 0.00 -0.26 0.00 0.00 58.87 55.86 1ws8 n SER 60 Cb 0.49 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.17 1ws8 n SER 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ws8 h SER 61 N 1.45 0.00 -2.00 4.04 4.64 -1.96 -3.39 113.55 116.32 1ws8 h SER 61 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1ws8 h SER 61 Cb 1.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.91 1ws8 h SER 61 CO 0.14 0.25 -1.12 -1.20 -0.87 0.00 0.00 176.83 174.04 1ws8 n SER 62 N -3.20 0.40 -4.76 4.97 7.64 -1.26 -5.13 113.62 112.27 1ws8 n SER 62 Ca 0.02 -2.78 -0.36 0.00 1.01 0.00 0.00 58.87 56.77 1ws8 n SER 62 Cb 0.59 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 1ws8 n SER 62 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ws8 s PRO 63 N -1.49 3.25 0.28 1.43 0.02 -1.26 -4.95 135.00 132.28 1ws8 s PRO 63 Ca 0.36 1.77 0.18 0.00 0.02 0.00 0.00 61.00 63.33 1ws8 s PRO 63 Cb 0.21 -2.06 0.09 0.00 0.02 0.00 0.00 34.50 32.76 1ws8 s PRO 63 CO -0.10 -0.97 1.36 0.00 -0.33 0.00 0.00 177.00 176.96 1ws8 h ALA 64 N 1.23 0.73 -2.31 -1.55 0.00 -1.22 -3.47 119.26 112.67 1ws8 h ALA 64 Ca -0.50 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 1ws8 h ALA 64 Cb 1.28 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1ws8 h ALA 64 CO 0.57 0.49 0.22 0.00 0.00 0.00 0.00 179.25 180.52 1ws8 s ALA 65 N -3.04 -1.72 0.01 0.00 0.00 -1.21 -4.98 121.76 110.81 1ws8 s ALA 65 Ca 0.03 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1ws8 s ALA 65 Cb 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1ws8 s ALA 65 CO 0.74 -0.50 -0.02 -1.54 0.00 0.00 0.00 175.76 174.43 1ws8 s SER 66 N -1.72 0.26 -0.01 0.00 1.04 -1.26 -0.93 113.70 111.08 1ws8 s SER 66 Ca -0.06 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.21 1ws8 s SER 66 Cb -0.00 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 1ws8 s SER 66 CO 0.02 -0.07 -0.09 -0.31 0.98 0.00 0.00 173.24 173.77 1ws8 s TYR 67 N -0.47 0.80 0.00 5.02 1.51 0.39 -5.01 117.35 119.59 1ws8 s TYR 67 Ca -0.04 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1ws8 s TYR 67 Cb -0.04 -0.53 0.11 0.00 -0.11 0.00 0.00 41.96 41.39 1ws8 s TYR 67 CO -0.00 -0.02 1.00 0.25 -1.11 0.00 0.00 175.55 175.66 1ws8 n THR 68 N 2.93 0.00 0.15 -0.71 -2.24 -1.26 -1.31 114.28 111.83 1ws8 n THR 68 Ca -0.14 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1ws8 n THR 68 Cb 0.57 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1ws8 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ws8 h SER 69 N 0.25 0.00 0.00 3.42 4.64 -1.96 -3.46 113.55 116.44 1ws8 h SER 69 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ws8 h SER 69 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1ws8 h SER 69 CO 0.01 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1ws8 n GLY 70 N 1.20 1.07 2.66 -0.77 0.00 -1.26 -4.81 105.19 103.29 1ws8 n GLY 70 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1ws8 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws8 n ALA 71 N -0.94 1.76 -2.36 4.61 0.00 -1.16 -1.42 120.51 120.99 1ws8 n ALA 71 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 1ws8 n ALA 71 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1ws8 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ws8 s ASP 72 N -1.86 7.00 -0.26 0.00 -0.00 -0.78 -4.81 116.67 115.97 1ws8 s ASP 72 Ca 0.24 2.03 -0.08 0.00 -0.00 0.00 0.00 52.55 54.75 1ws8 s ASP 72 Cb 0.41 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.72 1ws8 s ASP 72 CO -0.05 -0.55 0.09 -0.55 -0.00 0.00 0.00 175.17 174.11 1ws8 s SER 73 N 1.28 5.27 -0.16 0.27 0.15 -1.26 -1.11 113.70 118.14 1ws8 s SER 73 Ca 0.60 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1ws8 s SER 73 Cb -0.30 -1.95 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1ws8 s SER 73 CO 0.28 -0.05 -0.19 -0.63 1.20 0.00 0.00 173.24 173.85 1ws8 s ILE 74 N 1.63 2.28 0.34 6.45 1.01 0.01 -4.94 121.20 127.98 1ws8 s ILE 74 Ca 0.06 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 1ws8 s ILE 74 Cb -0.15 -1.95 -0.10 0.00 0.01 0.00 0.00 42.46 40.27 1ws8 s ILE 74 CO 0.05 0.53 0.95 -2.16 0.00 0.00 0.00 174.94 174.31 1ws8 s PRO 75 N 1.03 4.52 -0.55 2.79 0.04 -1.26 -0.66 135.00 140.90 1ws8 s PRO 75 Ca -0.02 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1ws8 s PRO 75 Cb -0.14 -2.70 0.14 0.00 0.04 0.00 0.00 34.50 31.83 1ws8 s PRO 75 CO -0.06 0.22 0.38 -0.51 0.04 0.00 0.00 177.00 177.08 1ws8 s LEU 76 N -2.23 5.48 0.10 -3.56 1.43 -0.42 -4.95 118.68 114.53 1ws8 s LEU 76 Ca 0.52 -2.41 0.17 0.00 -1.03 0.00 0.00 54.13 51.38 1ws8 s LEU 76 Cb -0.17 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 1ws8 s LEU 76 CO 0.22 -0.51 0.90 0.11 0.23 0.00 0.00 176.35 177.31 1ws8 h LYS 77 N 7.68 0.00 -4.39 1.70 1.57 -1.92 -0.32 116.57 120.89 1ws8 h LYS 77 Ca -0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 1ws8 h LYS 77 Cb 1.01 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.16 1ws8 h LYS 77 CO 0.75 0.27 -0.69 1.03 -0.57 0.00 0.00 179.45 180.23 1ws8 s ARG 78 N -2.98 0.65 0.24 3.15 0.52 -1.26 -4.72 118.95 114.55 1ws8 s ARG 78 Ca -0.02 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 1ws8 s ARG 78 Cb 0.09 0.00 -0.09 0.00 0.52 0.00 0.00 34.95 35.47 1ws8 s ARG 78 CO 0.80 -0.06 1.34 -2.14 0.02 0.00 0.00 175.30 175.26 1ws8 s PRO 79 N -3.43 4.36 0.00 3.54 0.02 -1.26 -4.84 135.00 133.39 1ws8 s PRO 79 Ca 0.05 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1ws8 s PRO 79 Cb 0.04 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1ws8 s PRO 79 CO -0.06 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1ws8 n GLY 80 N 1.95 -0.09 3.53 0.52 0.00 -0.89 -5.00 105.19 105.20 1ws8 n GLY 80 Ca 0.05 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1ws8 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws8 s THR 81 N -2.21 4.08 0.09 2.61 2.01 -1.26 -0.68 115.64 120.28 1ws8 s THR 81 Ca 0.00 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 61.80 1ws8 s THR 81 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1ws8 s THR 81 CO 0.00 0.49 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.85 1ws8 s PHE 82 N 0.36 2.47 -0.05 4.92 0.40 0.04 -4.97 117.98 121.15 1ws8 s PHE 82 Ca -0.03 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1ws8 s PHE 82 Cb -0.14 -1.36 -0.00 0.00 0.51 0.00 0.00 43.02 42.03 1ws8 s PHE 82 CO 0.02 0.32 -0.17 0.71 0.70 0.00 0.00 175.22 176.80 1ws8 s TYR 83 N -1.04 1.77 0.04 0.36 1.51 -1.26 -0.36 117.35 118.38 1ws8 s TYR 83 Ca 0.16 -0.55 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1ws8 s TYR 83 Cb -0.10 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 1ws8 s TYR 83 CO 0.07 -0.20 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.13 1ws8 s PHE 84 N 0.14 1.03 0.12 2.71 0.40 -0.51 -1.59 117.98 120.28 1ws8 s PHE 84 Ca -0.06 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 1ws8 s PHE 84 Cb -0.13 -0.61 0.04 0.00 0.51 0.00 0.00 43.02 42.83 1ws8 s PHE 84 CO 0.03 0.01 0.40 -0.48 0.70 0.00 0.00 175.22 175.88 1ws8 s LEU 85 N -1.23 0.38 -0.10 -0.37 0.05 -0.40 -0.49 118.68 116.52 1ws8 s LEU 85 Ca -0.01 -0.31 -0.21 0.00 0.05 0.00 0.00 54.13 53.65 1ws8 s LEU 85 Cb -0.08 1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 45.87 1ws8 s LEU 85 CO 0.01 -0.85 0.58 0.00 -0.55 0.00 0.00 176.35 175.54 1ws8 n GLY 87 N 3.20 -0.70 3.73 0.00 0.00 -1.26 -3.71 105.19 106.45 1ws8 n GLY 87 Ca -0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ws8 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws8 s ILE 88 N -2.45 2.56 -0.31 -0.61 -1.09 -1.26 -4.82 121.20 113.21 1ws8 s ILE 88 Ca 0.27 0.43 -0.41 0.00 -2.23 0.00 0.00 60.65 58.70 1ws8 s ILE 88 Cb 0.20 -3.27 -0.19 0.00 -1.58 0.00 0.00 42.46 37.62 1ws8 s ILE 88 CO 0.49 0.05 1.32 -2.65 -1.23 0.00 0.00 174.94 172.91 1ws8 n PRO 89 N 3.33 0.00 0.00 2.79 -0.02 -1.26 -1.34 135.00 138.50 1ws8 n PRO 89 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1ws8 n PRO 89 Cb 0.39 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1ws8 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ws8 n GLY 90 N 2.94 2.88 0.26 -1.23 0.00 -1.26 -4.89 105.19 103.89 1ws8 n GLY 90 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ws8 n GLY 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ws8 h HIS 91 N 0.00 1.10 -0.81 1.61 3.86 -1.49 -2.60 115.15 116.82 1ws8 h HIS 91 Ca 0.00 -0.33 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 1ws8 h HIS 91 Cb 0.00 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 1ws8 h HIS 91 CO 0.00 1.15 0.33 0.00 0.86 0.00 0.00 177.93 180.27 1ws8 h GLN 93 N 1.18 0.00 -0.00 0.00 7.50 -1.89 -0.20 115.11 121.70 1ws8 h GLN 93 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 1ws8 h GLN 93 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.73 1ws8 h GLN 93 CO -0.02 0.14 -0.01 1.28 -1.50 0.00 0.00 178.83 178.72 1ws8 n LEU 94 N -3.60 0.08 0.00 1.46 4.77 -0.69 -4.89 117.00 114.13 1ws8 n LEU 94 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1ws8 n LEU 94 Cb 0.27 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ws8 n LEU 94 CO 0.31 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ws8 n GLY 95 N 1.17 0.95 3.38 -0.72 0.00 -0.09 -4.86 105.19 105.02 1ws8 n GLY 95 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1ws8 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ws8 n GLN 96 N -1.63 3.29 -3.56 1.61 7.27 -0.90 -4.66 117.38 118.80 1ws8 n GLN 96 Ca 0.00 -3.49 -0.16 0.00 0.07 0.00 0.00 57.00 53.42 1ws8 n GLN 96 Cb 0.00 -3.22 -0.06 0.00 2.41 0.00 0.00 30.24 29.37 1ws8 n GLN 96 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1ws8 s LYS 97 N 2.58 1.01 -0.15 3.69 -2.85 -1.26 -2.18 119.74 120.58 1ws8 s LYS 97 Ca 0.47 0.06 -0.12 0.00 -1.00 0.00 0.00 55.97 55.38 1ws8 s LYS 97 Cb 0.03 0.47 0.04 0.00 -2.06 0.00 0.00 37.83 36.31 1ws8 s LYS 97 CO 0.02 -0.33 0.38 0.54 0.10 0.00 0.00 175.35 176.07 1ws8 s VAL 98 N -1.58 -0.01 -0.20 1.79 0.11 0.35 -4.66 120.40 116.21 1ws8 s VAL 98 Ca -0.10 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 1ws8 s VAL 98 Cb -0.01 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1ws8 s VAL 98 CO 0.06 0.01 0.12 -0.70 -3.33 0.00 0.00 175.10 171.25 1ws8 s GLU 99 N 0.50 4.13 -0.23 1.54 2.12 -1.26 -1.43 118.70 124.07 1ws8 s GLU 99 Ca -0.02 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1ws8 s GLU 99 Cb -0.04 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1ws8 s GLU 99 CO -0.03 0.27 -0.12 0.42 -0.54 0.00 0.00 175.26 175.27 1ws8 s ILE 100 N 0.42 2.44 -0.36 -3.70 -1.09 0.52 -4.88 121.20 114.55 1ws8 s ILE 100 Ca 0.07 -1.12 -0.16 0.00 -2.23 0.00 0.00 60.65 57.22 1ws8 s ILE 100 Cb -0.12 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1ws8 s ILE 100 CO -0.01 0.28 0.38 -0.54 -1.23 0.00 0.00 174.94 173.81 1ws8 s LYS 101 N 1.27 3.47 -0.35 2.79 1.02 -1.26 -0.78 119.74 125.90 1ws8 s LYS 101 Ca -0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1ws8 s LYS 101 Cb -0.16 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.30 1ws8 s LYS 101 CO -0.08 -0.59 0.26 0.08 -0.92 0.00 0.00 175.35 174.11 1ws8 s VAL 102 N 2.04 5.27 -1.15 3.17 1.01 0.14 -4.21 120.40 126.68 1ws8 s VAL 102 Ca 0.12 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 1ws8 s VAL 102 Cb -0.17 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1ws8 s VAL 102 CO 0.12 -0.06 0.79 0.47 0.00 0.00 0.00 175.10 176.41 1ws8 n ASP 103 N 5.14 -5.22 0.00 3.32 8.00 -0.10 -2.10 116.55 125.60 1ws8 n ASP 103 Ca -0.12 -1.05 0.08 0.00 0.71 0.00 0.00 54.79 54.41 1ws8 n ASP 103 Cb 0.49 -3.18 0.48 0.00 -0.02 0.00 0.00 41.12 38.89 1ws8 n ASP 103 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00