#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws8 s ALA 2 N 0.00 -4.80 0.02 3.17 0.00 -1.26 -4.72 121.76 114.18 1ws8 s ALA 2 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1ws8 s ALA 2 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1ws8 s ALA 2 CO 0.00 -2.57 -0.14 0.99 0.00 0.00 0.00 175.76 174.05 1ws8 s THR 3 N 1.00 1.08 -0.27 0.00 2.01 -1.26 -5.01 115.64 113.19 1ws8 s THR 3 Ca 0.23 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 1ws8 s THR 3 Cb 0.14 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1ws8 s THR 3 CO -0.11 0.11 0.17 -0.69 -0.69 0.00 0.00 174.62 173.41 1ws8 s VAL 4 N -0.64 5.15 -0.30 3.82 1.01 -1.26 -2.13 120.40 126.05 1ws8 s VAL 4 Ca 0.03 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1ws8 s VAL 4 Cb -0.07 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1ws8 s VAL 4 CO 0.01 0.28 0.19 -1.00 0.00 0.00 0.00 175.10 174.57 1ws8 s HIS 5 N 1.65 3.21 -0.50 5.22 3.76 -0.07 -4.96 115.29 123.59 1ws8 s HIS 5 Ca 0.07 -0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.62 1ws8 s HIS 5 Cb -0.16 -2.39 0.03 0.00 1.11 0.00 0.00 32.58 31.17 1ws8 s HIS 5 CO 0.09 -0.27 1.04 0.21 -0.85 0.00 0.00 174.74 174.96 1ws8 s LYS 6 N 1.72 3.55 -0.03 1.40 2.20 -1.26 -0.47 119.74 126.84 1ws8 s LYS 6 Ca 0.06 0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 1ws8 s LYS 6 Cb -0.16 -3.96 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 1ws8 s LYS 6 CO 0.10 -1.40 2.02 0.08 -0.36 0.00 0.00 175.35 175.79 1ws8 s VAL 7 N 4.20 3.03 -0.03 4.02 1.01 -0.44 -0.83 120.40 131.36 1ws8 s VAL 7 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ws8 s VAL 7 Cb -0.09 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1ws8 s VAL 7 CO 0.27 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1ws8 n GLY 8 N 4.85 0.47 7.00 4.51 0.00 -1.26 -3.74 105.19 117.02 1ws8 n GLY 8 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.50 0.00 0.27 1.61 8.00 -0.01 -1.23 116.55 125.68 1ws8 n ASP 9 Ca -0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1ws8 n ASP 9 Cb 0.03 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 41.78 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 0.00 0.00 0.41 -2.24 4.64 -1.89 -2.85 113.55 111.62 1ws8 h SER 10 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1ws8 h SER 10 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ws8 h SER 10 CO 0.00 0.07 -0.63 0.74 -0.87 0.00 0.00 176.83 176.14 1ws8 h THR 11 N 0.00 1.40 -0.22 2.95 2.02 -1.50 -3.49 112.91 114.07 1ws8 h THR 11 Ca -0.00 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1ws8 h THR 11 Cb 0.53 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1ws8 h THR 11 CO 0.01 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.12 1ws8 n GLY 12 N 0.33 -0.88 3.34 2.16 0.00 -1.05 -4.63 105.19 104.46 1ws8 n GLY 12 Ca -0.02 -1.19 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 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 3.27 0.29 1.61 -0.00 -0.53 -4.41 118.94 119.17 1ws8 s TRP 13 Ca 0.00 -1.15 -0.14 0.00 -0.00 0.00 0.00 56.10 54.81 1ws8 s TRP 13 Cb 0.00 -3.27 0.01 0.00 -0.00 0.00 0.00 33.47 30.21 1ws8 s TRP 13 CO 0.00 -0.86 0.59 -0.08 -0.00 0.00 0.00 176.95 176.61 1ws8 s THR 14 N 1.58 0.00 0.00 5.86 -1.32 -1.26 -4.58 115.64 115.92 1ws8 s THR 14 Ca 0.04 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1ws8 s THR 14 Cb -0.25 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1ws8 s THR 14 CO 0.05 0.00 0.36 0.35 -2.21 0.00 0.00 174.62 173.17 1ws8 n THR 15 N -0.45 0.07 -0.29 5.08 -2.24 -1.26 -4.80 114.28 110.39 1ws8 n THR 15 Ca -0.03 -0.34 0.05 0.00 -2.27 0.00 0.00 64.05 61.47 1ws8 n THR 15 Cb 0.61 1.32 0.27 0.00 -2.10 0.00 0.00 70.33 70.42 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 0.85 -8.41 3.22 5.85 -2.00 -3.42 115.31 111.40 1ws8 h LEU 16 Ca 0.00 0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.39 1ws8 h LEU 16 Cb 0.25 -0.17 -0.19 0.00 0.37 0.00 0.00 40.66 40.92 1ws8 h LEU 16 CO 0.00 0.53 -0.74 0.68 -0.34 0.00 0.00 178.44 178.57 1ws8 s VAL 17 N -5.85 0.94 0.22 1.05 -7.23 -1.26 -5.11 120.40 103.15 1ws8 s VAL 17 Ca -0.11 -1.49 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 1ws8 s VAL 17 Cb 0.20 -1.20 -0.10 0.00 0.56 0.00 0.00 36.38 35.85 1ws8 s VAL 17 CO 0.79 -0.45 1.43 -2.84 -0.31 0.00 0.00 175.10 173.72 1ws8 s PRO 18 N -2.38 4.29 -0.02 4.82 0.02 -1.26 -4.99 135.00 135.47 1ws8 s PRO 18 Ca 0.02 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 1ws8 s PRO 18 Cb -0.06 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.35 1ws8 s PRO 18 CO 0.01 -0.41 0.04 -0.47 -0.33 0.00 0.00 177.00 175.83 1ws8 s TYR 19 N 0.26 0.02 -0.98 6.54 5.04 -1.26 -5.09 117.35 121.88 1ws8 s TYR 19 Ca 0.61 0.15 -0.22 0.00 -2.44 0.00 0.00 57.07 55.17 1ws8 s TYR 19 Cb -0.41 -0.25 0.07 0.00 0.35 0.00 0.00 41.96 41.73 1ws8 s TYR 19 CO 0.40 -0.10 1.35 0.34 -1.34 0.00 0.00 175.55 176.20 1ws8 s ASP 20 N 1.15 6.52 0.42 4.32 -1.08 -1.26 -4.82 116.67 121.92 1ws8 s ASP 20 Ca -0.08 -1.57 0.21 0.00 -0.52 0.00 0.00 52.55 50.59 1ws8 s ASP 20 Cb -0.13 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.74 1ws8 s ASP 20 CO -0.03 -1.40 1.85 1.88 0.52 0.00 0.00 175.17 177.99 1ws8 h TYR 21 N 9.54 0.00 -0.56 -5.34 -1.99 -1.86 -2.45 116.97 114.32 1ws8 h TYR 21 Ca 0.16 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.81 1ws8 h TYR 21 Cb 1.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 1ws8 h TYR 21 CO 1.24 0.28 0.03 0.00 -0.00 0.00 0.00 178.16 179.72 1ws8 h ALA 22 N 1.72 0.75 -0.20 3.88 0.00 -1.87 -1.15 119.26 122.38 1ws8 h ALA 22 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1ws8 h ALA 22 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ws8 h ALA 22 CO 0.04 0.55 -0.42 0.87 0.00 0.00 0.00 179.25 180.29 1ws8 h LYS 23 N 0.85 0.48 -0.39 0.00 1.57 -1.91 -1.86 116.57 115.31 1ws8 h LYS 23 Ca 0.16 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1ws8 h LYS 23 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1ws8 h LYS 23 CO 0.02 0.81 0.18 2.35 -0.57 0.00 0.00 179.45 182.25 1ws8 h TRP 24 N 0.40 0.57 -0.66 -1.35 7.01 -1.09 -1.15 115.95 119.67 1ws8 h TRP 24 Ca 0.03 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1ws8 h TRP 24 Cb 0.90 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 1ws8 h TRP 24 CO 0.03 0.48 0.26 0.00 -2.79 0.00 0.00 178.44 176.42 1ws8 h ALA 25 N 1.03 0.86 0.00 2.65 0.00 -1.06 -2.50 119.26 120.24 1ws8 h ALA 25 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ws8 h ALA 25 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ws8 h ALA 25 CO -0.02 0.49 0.00 0.77 0.00 0.00 0.00 179.25 180.49 1ws8 h SER 26 N 0.94 0.00 -0.06 0.00 0.02 -1.10 -2.53 113.55 110.81 1ws8 h SER 26 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ws8 h SER 26 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ws8 h SER 26 CO -0.02 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.47 1ws8 n SER 27 N -3.05 1.55 -4.34 3.07 7.64 -0.46 -4.89 113.62 113.14 1ws8 n SER 27 Ca 0.01 -1.56 -0.21 0.00 1.01 0.00 0.00 58.87 58.11 1ws8 n SER 27 Cb 0.31 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 1ws8 n SER 27 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ws8 s ASN 28 N -1.86 2.70 -0.20 6.43 0.01 -0.96 -5.07 114.94 115.98 1ws8 s ASN 28 Ca 0.36 -0.90 -0.01 0.00 -0.71 0.00 0.00 52.86 51.60 1ws8 s ASN 28 Cb 0.20 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.71 1ws8 s ASN 28 CO 0.31 -0.06 -0.12 -0.54 -1.51 0.00 0.00 177.10 175.19 1ws8 s LYS 29 N -2.99 3.16 -0.18 -0.60 1.02 -1.26 -4.95 119.74 113.94 1ws8 s LYS 29 Ca 0.18 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 1ws8 s LYS 29 Cb -0.05 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1ws8 s LYS 29 CO 0.07 -0.22 0.02 -0.06 -0.92 0.00 0.00 175.35 174.24 1ws8 s PHE 30 N 1.38 3.14 0.12 3.18 0.40 -1.26 -5.06 117.98 119.88 1ws8 s PHE 30 Ca 0.05 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.33 1ws8 s PHE 30 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1ws8 s PHE 30 CO -0.08 0.03 -0.19 -1.01 0.70 0.00 0.00 175.22 174.67 1ws8 s HIS 31 N 0.49 1.76 0.29 0.36 3.76 -1.26 0.14 115.29 120.82 1ws8 s HIS 31 Ca 0.00 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 1ws8 s HIS 31 Cb -0.13 -0.93 -0.13 0.00 1.11 0.00 0.00 32.58 32.49 1ws8 s HIS 31 CO 0.02 0.24 1.19 0.28 -0.85 0.00 0.00 174.74 175.62 1ws8 n VAL 32 N 0.81 1.71 0.00 -0.90 0.31 -1.26 -1.22 118.33 117.78 1ws8 n VAL 32 Ca -0.17 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1ws8 n VAL 32 Cb 0.55 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 1.30 3.29 3.79 2.92 0.00 1.00 -4.77 105.19 112.72 1ws8 n GLY 33 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.86 3.22 0.04 1.61 1.01 -0.36 -4.64 116.67 116.70 1ws8 s ASP 34 Ca 0.00 0.82 -0.02 0.00 0.71 0.00 0.00 52.55 54.05 1ws8 s ASP 34 Cb 0.00 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 1ws8 s ASP 34 CO 0.00 -2.72 0.02 -0.94 0.21 0.00 0.00 175.17 171.74 1ws8 s SER 35 N -4.17 0.34 0.02 0.27 1.04 -0.90 0.09 113.70 110.38 1ws8 s SER 35 Ca 0.66 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1ws8 s SER 35 Cb -0.12 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1ws8 s SER 35 CO 0.53 -0.53 -0.00 -0.76 0.98 0.00 0.00 173.24 173.46 1ws8 s LEU 36 N -2.44 3.47 -0.20 2.42 1.43 0.60 -0.90 118.68 123.07 1ws8 s LEU 36 Ca -0.01 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1ws8 s LEU 36 Cb 0.02 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.24 1ws8 s LEU 36 CO -0.07 0.26 -0.10 -0.22 0.23 0.00 0.00 176.35 176.45 1ws8 s LEU 37 N -1.70 2.29 -0.33 1.79 2.96 0.38 -0.27 118.68 123.79 1ws8 s LEU 37 Ca 0.21 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 1ws8 s LEU 37 Cb -0.12 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1ws8 s LEU 37 CO 0.12 -0.15 0.19 -0.36 -1.32 0.00 0.00 176.35 174.83 1ws8 s PHE 38 N 1.40 3.21 -0.18 5.38 0.40 -0.24 -1.33 117.98 126.62 1ws8 s PHE 38 Ca -0.02 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 1ws8 s PHE 38 Cb -0.16 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1ws8 s PHE 38 CO -0.08 -0.46 -0.00 -0.80 0.70 0.00 0.00 175.22 174.57 1ws8 s ASN 39 N 1.64 4.94 0.15 1.36 0.02 -1.26 -1.65 114.94 120.13 1ws8 s ASN 39 Ca 0.05 -0.14 -0.25 0.00 -1.02 0.00 0.00 52.86 51.50 1ws8 s ASN 39 Cb -0.18 -1.83 0.06 0.00 0.02 0.00 0.00 41.25 39.33 1ws8 s ASN 39 CO 0.08 0.11 0.93 -0.72 0.02 0.00 0.00 177.10 177.52 1ws8 s TYR 40 N 0.71 -0.16 -0.59 2.20 -0.85 -0.46 -1.45 117.35 116.76 1ws8 s TYR 40 Ca -0.00 -0.14 -0.28 0.00 -0.52 0.00 0.00 57.07 56.12 1ws8 s TYR 40 Cb -0.14 0.64 0.03 0.00 0.38 0.00 0.00 41.96 42.86 1ws8 s TYR 40 CO 0.02 -0.83 1.20 1.21 -1.52 0.00 0.00 175.55 175.63 1ws8 s ASN 41 N -2.90 6.43 0.00 -0.18 3.84 -1.26 -4.51 114.94 116.36 1ws8 s ASN 41 Ca 0.11 0.09 0.20 0.00 0.21 0.00 0.00 52.86 53.47 1ws8 s ASN 41 Cb -0.02 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.30 1ws8 s ASN 41 CO 0.01 -1.50 1.57 -0.46 -2.79 0.00 0.00 177.10 173.93 1ws8 n ASN 42 N 8.50 0.00 0.11 -4.21 2.04 -1.26 -2.02 115.26 118.41 1ws8 n ASN 42 Ca 0.08 -0.67 0.04 0.00 -0.44 0.00 0.00 54.58 53.59 1ws8 n ASN 42 Cb 0.49 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 1ws8 n ASN 42 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1ws8 h LYS 43 N 0.00 0.00 -0.01 -3.83 3.64 -1.93 -3.37 116.57 111.07 1ws8 h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ws8 h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ws8 h LYS 43 CO 0.00 0.31 -0.09 1.19 -2.27 0.00 0.00 179.45 178.59 1ws8 n PHE 44 N -3.03 0.00 -3.97 1.91 0.99 -0.86 -5.05 117.46 107.46 1ws8 n PHE 44 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.34 1ws8 n PHE 44 Cb 0.72 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 39.14 1ws8 n PHE 44 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1ws8 s HIS 45 N -0.89 0.40 0.33 1.38 3.76 -0.98 -4.92 115.29 114.36 1ws8 s HIS 45 Ca 0.07 -0.75 -0.08 0.00 -0.15 0.00 0.00 55.06 54.15 1ws8 s HIS 45 Cb 0.06 0.00 0.01 0.00 1.11 0.00 0.00 32.58 33.76 1ws8 s HIS 45 CO 0.14 -0.79 0.55 0.54 -0.85 0.00 0.00 174.74 174.33 1ws8 s ASN 46 N -2.98 0.47 -0.11 1.40 6.03 -1.26 -4.52 114.94 113.96 1ws8 s ASN 46 Ca 0.19 -1.27 -0.00 0.00 -1.03 0.00 0.00 52.86 50.75 1ws8 s ASN 46 Cb 0.02 0.69 0.02 0.00 -3.03 0.00 0.00 41.25 38.95 1ws8 s ASN 46 CO 0.03 -1.35 -0.09 -0.69 -2.03 0.00 0.00 177.10 172.97 1ws8 s VAL 47 N -3.12 1.08 -0.08 3.54 1.01 -0.52 -4.25 120.40 118.05 1ws8 s VAL 47 Ca 0.25 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ws8 s VAL 47 Cb -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1ws8 s VAL 47 CO 0.16 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.67 1ws8 s LEU 48 N 1.56 2.34 -0.13 3.92 1.43 0.21 -0.28 118.68 127.73 1ws8 s LEU 48 Ca 0.03 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1ws8 s LEU 48 Cb -0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1ws8 s LEU 48 CO -0.07 0.22 0.42 -1.58 0.23 0.00 0.00 176.35 175.57 1ws8 s GLN 49 N -0.01 4.31 0.36 1.70 0.74 -0.36 -1.55 119.66 124.84 1ws8 s GLN 49 Ca -0.07 0.33 0.06 0.00 0.05 0.00 0.00 55.36 55.74 1ws8 s GLN 49 Cb -0.15 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 1ws8 s GLN 49 CO 0.05 0.19 0.22 0.14 -0.55 0.00 0.00 175.29 175.34 1ws8 s VAL 50 N 0.55 0.21 0.67 1.34 -7.23 -0.48 -0.68 120.40 114.78 1ws8 s VAL 50 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1ws8 s VAL 50 Cb -0.14 -2.42 0.12 0.00 0.56 0.00 0.00 36.38 34.49 1ws8 s VAL 50 CO 0.08 0.00 0.92 1.51 -0.31 0.00 0.00 175.10 177.30 1ws8 s ASP 51 N -3.47 4.61 0.15 4.85 1.47 -1.26 -3.96 116.67 119.06 1ws8 s ASP 51 Ca 0.34 -0.59 -0.17 0.00 1.18 0.00 0.00 52.55 53.30 1ws8 s ASP 51 Cb 0.02 0.17 0.06 0.00 -0.34 0.00 0.00 42.92 42.83 1ws8 s ASP 51 CO 0.23 -1.69 1.71 -0.61 0.68 0.00 0.00 175.17 175.49 1ws8 h GLN 52 N -0.26 0.10 -0.03 2.11 4.15 -1.96 -0.61 115.11 118.60 1ws8 h GLN 52 Ca -0.33 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.09 1ws8 h GLN 52 Cb 1.27 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1ws8 h GLN 52 CO 0.40 0.07 -0.02 0.93 -1.93 0.00 0.00 178.83 178.27 1ws8 h GLU 53 N 0.10 -0.03 -0.60 1.69 5.08 -2.00 -1.80 114.58 117.03 1ws8 h GLU 53 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ws8 h GLU 53 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1ws8 h GLU 53 CO -0.26 -0.02 0.27 1.96 -1.00 0.00 0.00 179.01 179.97 1ws8 h GLN 54 N -0.03 0.85 -0.07 2.33 4.20 -1.82 -2.20 115.11 118.36 1ws8 h GLN 54 Ca 0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ws8 h GLN 54 Cb 0.06 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1ws8 h GLN 54 CO -0.05 0.67 0.04 0.35 -0.67 0.00 0.00 178.83 179.17 1ws8 h PHE 55 N 0.85 0.10 -0.31 2.96 3.57 -0.74 0.14 116.94 123.51 1ws8 h PHE 55 Ca 0.21 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1ws8 h PHE 55 Cb 0.11 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1ws8 h PHE 55 CO 0.01 0.16 -0.14 0.87 -2.23 0.00 0.00 178.31 176.98 1ws8 h LYS 56 N 0.01 0.53 -0.33 1.11 1.57 -1.11 -2.86 116.57 115.49 1ws8 h LYS 56 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1ws8 h LYS 56 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ws8 h LYS 56 CO -0.00 0.66 0.00 -1.13 -0.57 0.00 0.00 179.45 178.41 1ws8 n SER 57 N -4.19 2.95 -3.85 0.86 3.41 -0.85 -4.95 113.62 107.01 1ws8 n SER 57 Ca 0.01 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.41 1ws8 n SER 57 Cb 0.34 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.40 6.47 -0.15 0.00 2.47 0.16 -4.93 114.94 115.57 1ws8 s ASN 59 Ca 0.60 0.52 0.16 0.00 0.42 0.00 0.00 52.86 54.55 1ws8 s ASN 59 Cb -0.29 -2.30 0.49 0.00 -1.45 0.00 0.00 41.25 37.70 1ws8 s ASN 59 CO 0.81 -0.35 1.39 -1.54 -3.72 0.00 0.00 177.10 173.70 1ws8 n SER 60 N 5.65 3.72 0.20 -4.21 3.41 -1.26 -4.71 113.62 116.42 1ws8 n SER 60 Ca -0.03 -2.84 -0.14 0.00 -0.26 0.00 0.00 58.87 55.60 1ws8 n SER 60 Cb 0.49 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1ws8 n SER 60 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ws8 h SER 61 N 1.84 -0.41 -2.86 4.04 0.02 -1.98 -3.39 113.55 110.83 1ws8 h SER 61 Ca 0.00 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.25 1ws8 h SER 61 Cb 1.32 0.11 -0.41 0.00 0.14 0.00 0.00 62.40 63.55 1ws8 h SER 61 CO 0.19 -0.14 -0.65 -1.54 -1.14 0.00 0.00 176.83 173.54 1ws8 n SER 62 N -5.22 2.48 -4.78 3.07 3.41 -1.26 -5.10 113.62 106.22 1ws8 n SER 62 Ca -0.10 -3.09 -0.34 0.00 -0.26 0.00 0.00 58.87 55.08 1ws8 n SER 62 Cb 0.25 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.51 1ws8 n SER 62 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ws8 s PRO 63 N -1.33 3.17 0.18 4.33 0.04 -1.26 -4.95 135.00 135.19 1ws8 s PRO 63 Ca 0.28 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.79 1ws8 s PRO 63 Cb -0.00 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1ws8 s PRO 63 CO -0.16 -0.96 1.42 0.00 0.04 0.00 0.00 177.00 177.34 1ws8 h ALA 64 N 0.60 0.60 -2.13 8.56 0.00 -1.27 -3.46 119.26 122.16 1ws8 h ALA 64 Ca -0.48 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 53.63 1ws8 h ALA 64 Cb 1.24 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1ws8 h ALA 64 CO 0.56 0.98 0.08 0.00 0.00 0.00 0.00 179.25 180.87 1ws8 s ALA 65 N -3.16 -1.58 -0.13 0.00 0.00 -1.22 -4.99 121.76 110.67 1ws8 s ALA 65 Ca -0.01 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ws8 s ALA 65 Cb 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ws8 s ALA 65 CO 0.81 -0.33 -0.17 0.45 0.00 0.00 0.00 175.76 176.51 1ws8 s SER 66 N -0.62 2.70 -0.09 0.00 0.15 -1.26 -1.23 113.70 113.35 1ws8 s SER 66 Ca -0.07 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.10 1ws8 s SER 66 Cb -0.02 -1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 1ws8 s SER 66 CO 0.06 0.01 -0.12 -0.31 1.20 0.00 0.00 173.24 174.08 1ws8 s TYR 67 N 1.07 2.80 0.00 3.44 1.51 0.62 -5.01 117.35 121.79 1ws8 s TYR 67 Ca -0.04 -0.29 0.13 0.00 -1.01 0.00 0.00 57.07 55.86 1ws8 s TYR 67 Cb -0.14 -1.74 0.21 0.00 -0.11 0.00 0.00 41.96 40.18 1ws8 s TYR 67 CO -0.04 0.07 1.06 0.25 -1.11 0.00 0.00 175.55 175.77 1ws8 n THR 68 N 2.78 0.00 0.30 -0.71 -2.24 -1.26 -1.44 114.28 111.71 1ws8 n THR 68 Ca -0.18 -0.49 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1ws8 n THR 68 Cb 0.52 0.72 0.16 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.49 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.68 1ws8 h SER 69 Ca -0.15 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1ws8 h SER 69 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1ws8 h SER 69 CO 0.03 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1ws8 n GLY 70 N 1.19 1.51 2.58 -0.77 0.00 -1.26 -4.82 105.19 103.62 1ws8 n GLY 70 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.71 0.51 -2.38 4.61 0.00 -1.17 -1.35 120.51 120.02 1ws8 n ALA 71 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 53.44 50.96 1ws8 n ALA 71 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.69 6.97 -0.37 0.00 -0.00 -0.66 -4.81 116.67 116.10 1ws8 s ASP 72 Ca 0.27 1.88 -0.11 0.00 -0.00 0.00 0.00 52.55 54.59 1ws8 s ASP 72 Cb 0.33 -2.55 0.02 0.00 -0.00 0.00 0.00 42.92 40.72 1ws8 s ASP 72 CO -0.06 -0.66 0.21 -0.55 -0.00 0.00 0.00 175.17 174.11 1ws8 s SER 73 N 1.74 5.75 -0.30 0.27 0.15 -1.26 -1.07 113.70 118.98 1ws8 s SER 73 Ca 0.58 -0.92 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 1ws8 s SER 73 Cb -0.26 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1ws8 s SER 73 CO 0.22 -0.37 -0.00 -0.63 1.20 0.00 0.00 173.24 173.66 1ws8 s ILE 74 N 1.58 3.01 0.36 6.45 1.01 0.62 -4.92 121.20 129.30 1ws8 s ILE 74 Ca 0.03 -1.35 -0.27 0.00 0.00 0.00 0.00 60.65 59.06 1ws8 s ILE 74 Cb -0.19 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.48 1ws8 s ILE 74 CO 0.07 -0.09 1.18 -2.16 0.00 0.00 0.00 174.94 173.94 1ws8 s PRO 75 N 1.26 4.26 -0.57 2.79 0.04 -1.26 -0.29 135.00 141.23 1ws8 s PRO 75 Ca -0.05 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1ws8 s PRO 75 Cb -0.20 -2.87 0.15 0.00 0.04 0.00 0.00 34.50 31.62 1ws8 s PRO 75 CO -0.01 -0.16 0.44 -0.51 0.04 0.00 0.00 177.00 176.80 1ws8 s LEU 76 N -2.11 5.76 0.00 -3.56 1.43 0.11 -4.92 118.68 115.39 1ws8 s LEU 76 Ca 0.52 -2.30 0.23 0.00 -1.03 0.00 0.00 54.13 51.56 1ws8 s LEU 76 Cb -0.32 -2.00 0.41 0.00 0.03 0.00 0.00 46.19 44.30 1ws8 s LEU 76 CO 0.42 -0.59 1.39 0.29 0.23 0.00 0.00 176.35 178.09 1ws8 n LYS 77 N 4.36 2.46 -3.75 1.70 5.02 -1.26 -0.00 118.16 126.70 1ws8 n LYS 77 Ca 0.00 -2.20 -0.13 0.00 -2.02 0.00 0.00 58.31 53.96 1ws8 n LYS 77 Cb 0.41 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1ws8 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ws8 s ARG 78 N -1.59 0.49 0.75 1.97 0.52 -1.26 -4.84 118.95 114.99 1ws8 s ARG 78 Ca 0.37 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.79 1ws8 s ARG 78 Cb 0.22 0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.98 1ws8 s ARG 78 CO 0.31 -0.08 1.15 -2.14 0.02 0.00 0.00 175.30 174.56 1ws8 s PRO 79 N -0.17 2.11 0.00 3.54 0.02 -1.26 -4.85 135.00 134.39 1ws8 s PRO 79 Ca -0.03 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1ws8 s PRO 79 Cb -0.03 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1ws8 s PRO 79 CO 0.01 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 1ws8 n GLY 80 N -0.13 0.61 3.55 0.52 0.00 -1.15 -4.96 105.19 103.64 1ws8 n GLY 80 Ca 0.12 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.02 3.99 0.02 2.61 2.01 -1.26 -0.23 115.64 121.75 1ws8 s THR 81 Ca 0.00 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.74 1ws8 s THR 81 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1ws8 s THR 81 CO 0.00 0.53 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.85 1ws8 s PHE 82 N -0.07 2.20 -0.07 4.92 0.40 0.10 -4.96 117.98 120.51 1ws8 s PHE 82 Ca 0.02 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1ws8 s PHE 82 Cb -0.13 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 1ws8 s PHE 82 CO 0.02 0.05 -0.24 0.71 0.70 0.00 0.00 175.22 176.46 1ws8 s TYR 83 N -0.70 2.45 0.04 0.36 1.51 -1.25 -0.19 117.35 119.56 1ws8 s TYR 83 Ca 0.10 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1ws8 s TYR 83 Cb -0.10 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1ws8 s TYR 83 CO 0.01 -0.28 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.01 1ws8 s PHE 84 N -0.00 0.86 0.17 2.71 0.40 -0.61 -1.38 117.98 120.12 1ws8 s PHE 84 Ca -0.08 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 1ws8 s PHE 84 Cb -0.15 -0.51 0.03 0.00 0.51 0.00 0.00 43.02 42.90 1ws8 s PHE 84 CO 0.05 -0.02 0.45 -0.48 0.70 0.00 0.00 175.22 175.92 1ws8 s LEU 85 N -1.24 0.31 -0.15 -0.37 0.05 -0.60 -0.44 118.68 116.25 1ws8 s LEU 85 Ca -0.04 -0.48 -0.17 0.00 0.05 0.00 0.00 54.13 53.50 1ws8 s LEU 85 Cb -0.08 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 45.92 1ws8 s LEU 85 CO 0.01 -0.96 0.43 0.00 -0.55 0.00 0.00 176.35 175.27 1ws8 n GLY 87 N 3.43 -0.60 3.73 0.00 0.00 -1.26 -3.64 105.19 106.85 1ws8 n GLY 87 Ca -0.08 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.27 2.59 -0.39 -0.61 -1.09 -1.26 -4.81 121.20 113.36 1ws8 s ILE 88 Ca 0.33 0.47 -0.36 0.00 -2.23 0.00 0.00 60.65 58.86 1ws8 s ILE 88 Cb 0.20 -3.30 -0.15 0.00 -1.58 0.00 0.00 42.46 37.63 1ws8 s ILE 88 CO 0.43 0.06 1.31 -2.65 -1.23 0.00 0.00 174.94 172.86 1ws8 n PRO 89 N 3.02 0.00 0.00 2.79 -0.02 -1.26 -1.33 135.00 138.20 1ws8 n PRO 89 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1ws8 n PRO 89 Cb 0.39 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 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 3.57 2.56 0.28 -1.23 0.00 -1.26 -4.88 105.19 104.23 1ws8 n GLY 90 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.87 -0.69 1.61 3.86 -1.48 -2.48 115.15 116.84 1ws8 h HIS 91 Ca 0.00 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.00 1ws8 h HIS 91 Cb 0.00 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1ws8 h HIS 91 CO 0.00 0.84 0.20 0.00 0.86 0.00 0.00 177.93 179.83 1ws8 h GLN 93 N 1.02 0.00 0.00 0.00 7.50 -1.86 -1.09 115.11 120.68 1ws8 h GLN 93 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1ws8 h GLN 93 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.85 1ws8 h GLN 93 CO -0.00 0.20 0.00 1.28 -1.50 0.00 0.00 178.83 178.80 1ws8 n LEU 94 N -3.73 0.00 0.00 1.46 4.77 -0.92 -4.88 117.00 113.70 1ws8 n LEU 94 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1ws8 n LEU 94 Cb 0.31 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ws8 n LEU 94 CO 0.33 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1ws8 n GLY 95 N 1.11 1.00 3.23 -0.72 0.00 -0.41 -4.92 105.19 104.47 1ws8 n GLY 95 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.08 3.30 -3.62 1.61 7.27 -0.77 -4.72 117.38 119.37 1ws8 n GLN 96 Ca 0.00 -3.42 -0.14 0.00 0.07 0.00 0.00 57.00 53.51 1ws8 n GLN 96 Cb 0.00 -3.17 -0.06 0.00 2.41 0.00 0.00 30.24 29.42 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 2.23 0.96 -0.16 3.69 -2.85 -1.26 -2.07 119.74 120.27 1ws8 s LYS 97 Ca 0.46 -0.20 -0.14 0.00 -1.00 0.00 0.00 55.97 55.09 1ws8 s LYS 97 Cb 0.05 0.44 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1ws8 s LYS 97 CO 0.01 -0.33 0.42 0.54 0.10 0.00 0.00 175.35 176.09 1ws8 s VAL 98 N -2.14 -0.00 -0.18 1.79 0.11 0.42 -4.71 120.40 115.68 1ws8 s VAL 98 Ca -0.07 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1ws8 s VAL 98 Cb -0.01 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1ws8 s VAL 98 CO 0.00 0.00 0.04 -0.70 -3.33 0.00 0.00 175.10 171.12 1ws8 s GLU 99 N 0.38 3.87 -0.17 1.54 2.12 -1.26 -1.57 118.70 123.61 1ws8 s GLU 99 Ca -0.01 -0.40 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 1ws8 s GLU 99 Cb -0.04 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1ws8 s GLU 99 CO -0.01 0.21 -0.15 0.42 -0.54 0.00 0.00 175.26 175.19 1ws8 s ILE 100 N 0.51 2.65 -0.32 -3.70 -1.09 0.73 -4.89 121.20 115.10 1ws8 s ILE 100 Ca 0.02 -0.77 -0.09 0.00 -2.23 0.00 0.00 60.65 57.58 1ws8 s ILE 100 Cb -0.13 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 1ws8 s ILE 100 CO 0.01 0.51 0.14 -0.54 -1.23 0.00 0.00 174.94 173.83 1ws8 s LYS 101 N 0.96 3.20 0.05 2.79 1.02 -1.26 0.01 119.74 126.52 1ws8 s LYS 101 Ca -0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 1ws8 s LYS 101 Cb -0.15 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 1ws8 s LYS 101 CO -0.02 -0.46 0.25 0.08 -0.92 0.00 0.00 175.35 174.27 1ws8 s VAL 102 N 1.57 5.34 0.00 3.17 1.01 0.68 -4.27 120.40 127.90 1ws8 s VAL 102 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1ws8 s VAL 102 Cb -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1ws8 s VAL 102 CO 0.05 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.68