#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt3 s LYS 2 N 0.00 1.79 0.08 1.96 1.02 -1.26 -1.79 119.74 121.54 1xt3 s LYS 2 Ca 0.00 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.47 1xt3 s LYS 2 Cb 0.00 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1xt3 s LYS 2 CO 0.00 0.22 -0.19 0.00 -0.92 0.00 0.00 175.35 174.46 1xt3 s ASN 4 N -1.68 4.57 0.44 0.00 0.01 -1.26 -0.64 114.94 116.37 1xt3 s ASN 4 Ca 0.05 1.42 0.08 0.00 -0.71 0.00 0.00 52.86 53.69 1xt3 s ASN 4 Cb -0.10 -2.17 -0.00 0.00 0.41 0.00 0.00 41.25 39.39 1xt3 s ASN 4 CO 0.03 -1.94 0.44 -0.54 -1.51 0.00 0.00 177.10 173.59 1xt3 s LYS 5 N -5.10 2.55 0.12 -0.60 1.02 0.13 -3.20 119.74 114.66 1xt3 s LYS 5 Ca 0.60 -1.52 -0.23 0.00 0.02 0.00 0.00 55.97 54.84 1xt3 s LYS 5 Cb -0.15 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 1xt3 s LYS 5 CO 0.55 -0.28 1.17 -0.11 -0.92 0.00 0.00 175.35 175.75 1xt3 n LEU 6 N -1.67 -0.80 -4.64 3.17 7.94 -1.26 -3.18 117.00 116.57 1xt3 n LEU 6 Ca 0.05 1.35 -0.43 0.00 -1.11 0.00 0.00 56.01 55.86 1xt3 n LEU 6 Cb 0.61 -0.18 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 1xt3 n LEU 6 CO 0.41 -1.09 1.10 -0.69 -1.11 0.00 0.00 177.39 176.01 1xt3 s VAL 7 N -5.35 4.23 0.33 1.96 1.01 -1.26 -4.89 120.40 116.43 1xt3 s VAL 7 Ca -0.09 1.43 0.10 0.00 0.00 0.00 0.00 61.98 63.43 1xt3 s VAL 7 Cb 0.08 -4.13 0.32 0.00 0.00 0.00 0.00 36.38 32.65 1xt3 s VAL 7 CO 0.47 -0.36 1.74 -0.65 0.00 0.00 0.00 175.10 176.30 1xt3 h PRO 8 N 8.79 0.55 0.00 2.72 0.11 -1.95 -1.79 132.00 140.42 1xt3 h PRO 8 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xt3 h PRO 8 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1xt3 h PRO 8 CO 1.01 0.36 0.00 1.28 -0.21 0.00 0.00 178.00 180.45 1xt3 n LEU 9 N -4.85 0.00 -4.03 2.35 4.32 -1.26 -4.62 117.00 108.91 1xt3 n LEU 9 Ca 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1xt3 n LEU 9 Cb 0.76 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.45 1xt3 n LEU 9 CO 0.18 0.00 -0.38 -0.36 -1.22 0.00 0.00 177.39 175.60 1xt3 s PHE 10 N -2.00 0.49 0.30 -1.77 0.08 -0.68 -5.07 117.98 109.34 1xt3 s PHE 10 Ca 0.02 -0.55 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 1xt3 s PHE 10 Cb 0.01 -0.31 -0.00 0.00 -0.57 0.00 0.00 43.02 42.14 1xt3 s PHE 10 CO 0.01 -0.14 0.44 1.52 -0.10 0.00 0.00 175.22 176.95 1xt3 s TYR 11 N -1.58 0.88 0.13 0.36 1.13 -1.26 0.19 117.35 117.20 1xt3 s TYR 11 Ca -0.11 -1.15 -0.08 0.00 -1.41 0.00 0.00 57.07 54.32 1xt3 s TYR 11 Cb -0.09 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1xt3 s TYR 11 CO -0.01 -1.04 0.22 -1.59 -2.51 0.00 0.00 175.55 170.62 1xt3 s LYS 12 N -3.44 1.01 -0.21 -3.49 -2.85 0.18 -4.87 119.74 106.08 1xt3 s LYS 12 Ca 0.29 -1.14 -0.15 0.00 -1.00 0.00 0.00 55.97 53.98 1xt3 s LYS 12 Cb 0.00 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1xt3 s LYS 12 CO 0.16 -0.35 0.36 0.99 0.10 0.00 0.00 175.35 176.61 1xt3 s THR 13 N -3.94 5.23 0.40 3.79 2.01 -1.26 -1.21 115.64 120.65 1xt3 s THR 13 Ca 0.14 0.62 -0.27 0.00 0.31 0.00 0.00 61.69 62.49 1xt3 s THR 13 Cb 0.04 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1xt3 s THR 13 CO -0.04 0.27 1.36 0.00 -0.69 0.00 0.00 174.62 175.52 1xt3 s PRO 15 N -2.20 4.34 0.06 0.00 0.04 -1.26 -4.81 135.00 131.17 1xt3 s PRO 15 Ca 0.56 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 1xt3 s PRO 15 Cb -0.41 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1xt3 s PRO 15 CO 0.53 0.06 0.43 0.00 0.04 0.00 0.00 177.00 178.07 1xt3 n ALA 16 N -0.06 -2.16 0.00 8.56 0.00 -1.26 -2.27 120.51 123.33 1xt3 n ALA 16 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xt3 n ALA 16 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1xt3 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xt3 n GLY 17 N 1.00 1.92 3.54 0.00 0.00 -1.26 -4.94 105.19 105.44 1xt3 n GLY 17 Ca 0.11 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1xt3 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xt3 n LYS 18 N 0.00 0.42 -2.05 1.61 5.02 -0.96 -4.76 118.16 117.45 1xt3 n LYS 18 Ca 0.00 -0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 55.54 1xt3 n LYS 18 Cb 0.00 -2.67 0.03 0.00 -0.02 0.00 0.00 35.03 32.37 1xt3 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xt3 n ASN 19 N 13.73 6.80 -3.51 4.39 0.23 -1.21 -4.57 115.26 131.13 1xt3 n ASN 19 Ca 0.53 -3.81 -0.14 0.00 -0.53 0.00 0.00 54.58 50.64 1xt3 n ASN 19 Cb 0.33 -0.91 -0.04 0.00 -2.08 0.00 0.00 39.78 37.08 1xt3 n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xt3 s LEU 20 N -3.93 -0.37 -0.10 -4.53 1.43 -1.00 -4.87 118.68 105.30 1xt3 s LEU 20 Ca 0.51 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1xt3 s LEU 20 Cb 0.43 2.39 -0.01 0.00 0.03 0.00 0.00 46.19 49.03 1xt3 s LEU 20 CO -0.35 -0.80 -0.18 0.00 0.23 0.00 0.00 176.35 175.25 1xt3 s TYR 22 N 0.09 1.85 0.03 0.00 -0.85 -0.68 -0.75 117.35 117.05 1xt3 s TYR 22 Ca -0.08 -0.54 0.05 0.00 -0.52 0.00 0.00 57.07 55.98 1xt3 s TYR 22 Cb -0.15 -0.87 -0.02 0.00 0.38 0.00 0.00 41.96 41.30 1xt3 s TYR 22 CO 0.05 0.42 -0.14 0.21 -1.52 0.00 0.00 175.55 174.58 1xt3 s LYS 23 N -3.63 0.95 -0.05 -3.49 2.20 0.34 -3.38 119.74 112.69 1xt3 s LYS 23 Ca 0.25 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1xt3 s LYS 23 Cb -0.01 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1xt3 s LYS 23 CO 0.09 0.24 0.07 1.41 -0.36 0.00 0.00 175.35 176.80 1xt3 s MET 24 N -1.04 -0.06 0.10 4.03 -2.45 -0.80 -1.26 119.30 117.81 1xt3 s MET 24 Ca 0.02 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.83 1xt3 s MET 24 Cb -0.08 -0.51 -0.03 0.00 1.25 0.00 0.00 34.83 35.46 1xt3 s MET 24 CO 0.01 -0.33 0.06 -0.59 1.05 0.00 0.00 175.02 175.21 1xt3 s PHE 25 N 2.18 0.60 0.53 4.11 -0.12 -1.15 -0.96 117.98 123.18 1xt3 s PHE 25 Ca 0.05 -1.05 -0.16 0.00 -0.05 0.00 0.00 56.93 55.71 1xt3 s PHE 25 Cb -0.12 -0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 41.84 1xt3 s PHE 25 CO -0.03 -0.48 1.00 -1.64 -0.05 0.00 0.00 175.22 174.01 1xt3 s MET 26 N -3.97 3.85 0.23 1.99 -1.94 -1.25 -2.16 119.30 116.04 1xt3 s MET 26 Ca 0.14 0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 55.05 1xt3 s MET 26 Cb 0.07 -2.12 0.21 0.00 2.01 0.00 0.00 34.83 35.00 1xt3 s MET 26 CO -0.05 -0.36 1.73 -0.24 -0.01 0.00 0.00 175.02 176.10 1xt3 h VAL 27 N 0.80 1.25 0.30 -6.03 3.04 -0.43 -3.15 116.25 112.03 1xt3 h VAL 27 Ca -0.47 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 1xt3 h VAL 27 Cb 1.19 0.69 -0.04 0.00 -2.01 0.00 0.00 31.29 31.12 1xt3 h VAL 27 CO 0.61 0.37 -0.50 0.00 -1.01 0.00 0.00 177.57 177.04 1xt3 h ALA 28 N 1.16 -1.02 -3.04 3.17 0.00 -1.93 -3.31 119.26 114.30 1xt3 h ALA 28 Ca 0.19 -0.14 -0.72 0.00 0.00 0.00 0.00 54.91 54.23 1xt3 h ALA 28 Cb 0.42 0.79 -0.33 0.00 0.00 0.00 0.00 17.79 18.67 1xt3 h ALA 28 CO 0.01 -1.13 -0.19 0.95 0.00 0.00 0.00 179.25 178.89 1xt3 s THR 29 N -5.84 4.35 0.30 0.00 -4.23 -1.19 -4.93 115.64 104.10 1xt3 s THR 29 Ca -0.17 -2.96 0.10 0.00 -1.18 0.00 0.00 61.69 57.48 1xt3 s THR 29 Cb 0.05 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1xt3 s THR 29 CO 0.61 -0.95 1.68 1.55 -0.54 0.00 0.00 174.62 176.97 1xt3 h PRO 30 N 7.08 0.04 -0.08 3.99 0.13 -1.65 -3.10 132.00 138.41 1xt3 h PRO 30 Ca 0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1xt3 h PRO 30 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1xt3 h PRO 30 CO 0.74 0.55 0.00 1.17 -0.23 0.00 0.00 178.00 180.24 1xt3 n LYS 31 N -3.92 1.68 -3.61 0.86 3.00 -1.26 -4.54 118.16 110.36 1xt3 n LYS 31 Ca -0.02 -1.00 -0.37 0.00 -0.00 0.00 0.00 58.31 56.93 1xt3 n LYS 31 Cb 0.54 -1.44 -0.06 0.00 0.00 0.00 0.00 35.03 34.06 1xt3 n LYS 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1xt3 s VAL 32 N -1.91 4.43 0.58 3.15 1.01 -1.17 -5.07 120.40 121.41 1xt3 s VAL 32 Ca 0.36 -3.59 -0.20 0.00 0.00 0.00 0.00 61.98 58.55 1xt3 s VAL 32 Cb 0.19 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1xt3 s VAL 32 CO 0.30 -1.05 1.30 -2.16 0.00 0.00 0.00 175.10 173.49 1xt3 s PRO 33 N -1.02 2.99 0.00 2.72 0.04 -1.26 -4.60 135.00 133.87 1xt3 s PRO 33 Ca 0.25 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1xt3 s PRO 33 Cb -0.10 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1xt3 s PRO 33 CO -0.10 -1.26 0.20 1.33 0.04 0.00 0.00 177.00 177.21 1xt3 n VAL 34 N -1.34 0.00 -3.69 -0.36 0.24 -0.13 -4.99 118.33 108.06 1xt3 n VAL 34 Ca 0.12 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1xt3 n VAL 34 Cb 0.47 1.34 -0.09 0.00 -1.47 0.00 0.00 33.84 34.08 1xt3 n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1xt3 s LYS 35 N -0.15 0.52 -0.04 7.34 -0.14 -1.06 -5.00 119.74 121.21 1xt3 s LYS 35 Ca 0.00 0.84 -0.07 0.00 -1.36 0.00 0.00 55.97 55.38 1xt3 s LYS 35 Cb 0.00 0.12 0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1xt3 s LYS 35 CO 0.00 -0.12 0.17 1.03 -0.76 0.00 0.00 175.35 175.66 1xt3 s ARG 36 N 1.03 0.33 0.00 1.68 0.52 -1.26 -1.90 118.95 119.35 1xt3 s ARG 36 Ca -0.06 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1xt3 s ARG 36 Cb -0.06 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.56 1xt3 s ARG 36 CO -0.09 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.57 1xt3 n GLY 37 N 2.35 -0.50 3.95 -3.53 0.00 -1.20 -4.16 105.19 102.11 1xt3 n GLY 37 Ca -0.17 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1xt3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xt3 s ILE 39 N -2.12 0.00 -0.12 0.00 1.10 -0.70 -4.85 121.20 114.50 1xt3 s ILE 39 Ca 0.37 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.46 1xt3 s ILE 39 Cb -0.10 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.49 1xt3 s ILE 39 CO 0.32 0.00 -0.06 -2.24 -2.11 0.00 0.00 174.94 170.85 1xt3 h ASP 40 N 2.29 0.00 -3.30 4.50 -0.00 -1.89 -2.65 116.42 115.37 1xt3 h ASP 40 Ca -0.24 -0.03 -0.65 0.00 -0.00 0.00 0.00 57.03 56.11 1xt3 h ASP 40 Cb 1.22 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 40.21 1xt3 h ASP 40 CO 0.33 0.65 -0.86 0.54 -0.00 0.00 0.00 179.24 179.89 1xt3 s VAL 41 N -1.89 1.89 0.01 4.15 0.11 -1.26 -4.67 120.40 118.74 1xt3 s VAL 41 Ca -0.08 -0.90 -0.35 0.00 -2.93 0.00 0.00 61.98 57.72 1xt3 s VAL 41 Cb 0.01 -1.66 -0.14 0.00 -1.53 0.00 0.00 36.38 33.07 1xt3 s VAL 41 CO 0.13 0.52 1.68 0.00 -3.33 0.00 0.00 175.10 174.10 1xt3 n PRO 43 N 4.73 1.79 -2.00 0.00 -0.02 -1.26 -4.91 135.00 133.34 1xt3 n PRO 43 Ca 0.20 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1xt3 n PRO 43 Cb 0.26 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 1xt3 n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xt3 s LYS 44 N -2.66 4.25 -0.05 -0.52 -0.14 -1.26 -4.68 119.74 114.67 1xt3 s LYS 44 Ca 0.68 2.29 -0.24 0.00 -1.36 0.00 0.00 55.97 57.34 1xt3 s LYS 44 Cb -0.44 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1xt3 s LYS 44 CO 0.52 -0.55 0.72 -1.12 -0.76 0.00 0.00 175.35 174.17 1xt3 s SER 45 N 1.07 7.03 0.00 2.83 0.01 -1.26 -4.84 113.70 118.53 1xt3 s SER 45 Ca 0.68 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.18 1xt3 s SER 45 Cb -0.42 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1xt3 s SER 45 CO 0.32 -0.11 0.00 -1.54 0.41 0.00 0.00 173.24 172.32 1xt3 n SER 46 N 3.71 0.00 -0.06 2.44 3.41 -0.40 -5.01 113.62 117.71 1xt3 n SER 46 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.54 1xt3 n SER 46 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1xt3 n SER 46 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xt3 n LEU 47 N 0.00 1.42 0.04 1.04 7.94 -1.26 -4.61 117.00 121.57 1xt3 n LEU 47 Ca 0.00 0.30 0.13 0.00 -1.11 0.00 0.00 56.01 55.32 1xt3 n LEU 47 Cb 0.00 -0.70 0.38 0.00 0.53 0.00 0.00 43.42 43.63 1xt3 n LEU 47 CO 0.00 -0.36 0.67 0.18 -1.11 0.00 0.00 177.39 176.78 1xt3 n LEU 48 N -3.96 0.47 -4.18 -1.96 4.77 -1.26 -4.74 117.00 106.14 1xt3 n LEU 48 Ca -0.09 0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 1xt3 n LEU 48 Cb 0.35 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1xt3 n LEU 48 CO 0.14 -0.02 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.00 1xt3 s VAL 49 N -3.06 2.41 0.02 4.08 1.01 -1.26 0.32 120.40 123.92 1xt3 s VAL 49 Ca 0.11 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xt3 s VAL 49 Cb 0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1xt3 s VAL 49 CO 0.63 0.51 -0.05 -0.54 0.00 0.00 0.00 175.10 175.65 1xt3 s LYS 50 N 1.28 2.54 -0.11 2.72 -0.14 -0.92 -1.27 119.74 123.85 1xt3 s LYS 50 Ca 0.04 -0.75 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1xt3 s LYS 50 Cb -0.14 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.51 1xt3 s LYS 50 CO -0.09 0.59 -0.17 0.71 -0.76 0.00 0.00 175.35 175.62 1xt3 s TYR 51 N -1.08 2.11 -0.08 3.18 2.02 -1.26 -2.94 117.35 119.30 1xt3 s TYR 51 Ca 0.19 -0.97 0.04 0.00 -0.37 0.00 0.00 57.07 55.96 1xt3 s TYR 51 Cb -0.11 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1xt3 s TYR 51 CO 0.10 -0.48 -0.22 0.08 -1.57 0.00 0.00 175.55 173.47 1xt3 s VAL 52 N 0.86 1.88 0.06 0.71 1.01 -0.39 -4.85 120.40 119.67 1xt3 s VAL 52 Ca -0.09 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1xt3 s VAL 52 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1xt3 s VAL 52 CO 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 1xt3 n ASN 55 N -0.17 2.58 -4.95 0.00 2.04 -1.26 -1.90 115.26 111.60 1xt3 n ASN 55 Ca -0.04 -2.49 -0.20 0.00 -0.44 0.00 0.00 54.58 51.42 1xt3 n ASN 55 Cb 0.64 -0.26 -0.02 0.00 -2.53 0.00 0.00 39.78 37.62 1xt3 n ASN 55 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1xt3 s THR 56 N -1.85 4.11 0.00 5.53 2.01 -1.26 -4.99 115.64 119.19 1xt3 s THR 56 Ca 0.21 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1xt3 s THR 56 Cb 0.16 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1xt3 s THR 56 CO 0.05 -0.19 1.25 -1.81 -0.69 0.00 0.00 174.62 173.23 1xt3 s ASP 57 N -4.09 7.01 -0.85 3.53 1.11 -1.26 -3.93 116.67 118.18 1xt3 s ASP 57 Ca 0.42 1.96 -0.04 0.00 0.18 0.00 0.00 52.55 55.08 1xt3 s ASP 57 Cb -0.09 -2.57 -0.00 0.00 1.07 0.00 0.00 42.92 41.34 1xt3 s ASP 57 CO 0.30 -0.58 0.68 0.54 1.18 0.00 0.00 175.17 177.29 1xt3 n ARG 58 N 4.78 -1.40 0.00 8.23 1.74 0.06 -4.93 116.66 125.15 1xt3 n ARG 58 Ca 0.11 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.21 1xt3 n ARG 58 Cb 0.46 -4.14 0.00 0.00 -1.02 0.00 0.00 32.46 27.75 1xt3 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11