#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba5 s LYS 2 N 0.00 3.54 -1.35 5.56 1.02 -1.26 -4.94 119.74 122.31 1ba5 s LYS 2 Ca 0.00 0.25 -0.15 0.00 0.02 0.00 0.00 55.97 56.09 1ba5 s LYS 2 Cb 0.00 -3.99 0.08 0.00 -0.52 0.00 0.00 37.83 33.40 1ba5 s LYS 2 CO 0.00 -1.56 1.92 2.89 -0.92 0.00 0.00 175.35 177.67 1ba5 n ARG 3 N 8.11 3.13 -2.01 1.68 1.85 -1.26 -4.93 116.66 123.24 1ba5 n ARG 3 Ca 0.08 -3.10 -0.32 0.00 -1.00 0.00 0.00 57.85 53.51 1ba5 n ARG 3 Cb 0.49 -3.30 -0.04 0.00 -1.05 0.00 0.00 32.46 28.56 1ba5 n ARG 3 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1ba5 s GLN 4 N 3.08 2.53 0.62 2.89 -1.52 -1.26 -4.95 119.66 121.04 1ba5 s GLN 4 Ca 0.48 0.22 -0.17 0.00 -1.95 0.00 0.00 55.36 53.94 1ba5 s GLN 4 Cb 0.08 -4.73 -0.02 0.00 -0.22 0.00 0.00 33.01 28.12 1ba5 s GLN 4 CO -0.00 -3.13 1.15 0.00 -0.25 0.00 0.00 175.29 173.06 1ba5 s ALA 5 N 9.90 2.52 0.42 6.09 0.00 -1.26 -5.06 121.76 134.37 1ba5 s ALA 5 Ca 0.71 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.50 1ba5 s ALA 5 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1ba5 s ALA 5 CO 0.10 -1.15 0.16 -1.58 0.00 0.00 0.00 175.76 173.29 1ba5 s TRP 6 N -1.97 2.58 0.10 0.00 0.52 -1.26 -5.13 118.94 113.78 1ba5 s TRP 6 Ca 0.72 -0.60 -0.15 0.00 0.02 0.00 0.00 56.10 56.09 1ba5 s TRP 6 Cb -0.24 -1.94 -0.07 0.00 -1.15 0.00 0.00 33.47 30.07 1ba5 s TRP 6 CO 0.35 0.20 0.51 -0.51 0.02 0.00 0.00 176.95 177.53 1ba5 s LEU 7 N -3.89 4.40 0.35 2.99 1.43 -1.26 -4.94 118.68 117.76 1ba5 s LEU 7 Ca 0.40 1.06 0.13 0.00 -1.03 0.00 0.00 54.13 54.70 1ba5 s LEU 7 Cb 0.04 -3.04 0.99 0.00 0.03 0.00 0.00 46.19 44.21 1ba5 s LEU 7 CO 0.22 0.18 1.73 4.11 0.23 0.00 0.00 176.35 182.82 1ba5 h TRP 8 N 3.97 0.90 0.55 0.29 0.09 -2.00 0.28 115.95 120.02 1ba5 h TRP 8 Ca -0.49 0.03 -0.02 0.00 0.09 0.00 0.00 58.89 58.49 1ba5 h TRP 8 Cb 1.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.16 30.18 1ba5 h TRP 8 CO 0.67 0.02 -0.34 0.93 0.09 0.00 0.00 178.44 179.80 1ba5 h GLU 9 N 0.48 -0.81 -0.69 0.12 4.39 -1.98 -1.00 114.58 115.10 1ba5 h GLU 9 Ca 0.65 0.06 0.07 0.00 0.34 0.00 0.00 59.36 60.47 1ba5 h GLU 9 Cb 1.41 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 30.18 1ba5 h GLU 9 CO -0.45 -0.54 0.37 0.93 -1.16 0.00 0.00 179.01 178.17 1ba5 h GLU 10 N -0.84 0.66 0.35 2.33 5.08 -1.57 0.12 114.58 120.72 1ba5 h GLU 10 Ca -0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ba5 h GLU 10 Cb 0.67 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1ba5 h GLU 10 CO 0.07 0.44 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.66 1ba5 h ASP 11 N 0.68 -1.14 -0.38 1.42 3.32 -0.89 0.11 116.42 119.54 1ba5 h ASP 11 Ca 0.31 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1ba5 h ASP 11 Cb 0.23 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1ba5 h ASP 11 CO -0.20 -0.55 0.15 0.11 -1.72 0.00 0.00 179.24 177.03 1ba5 h LYS 12 N -0.80 0.58 -0.54 3.56 1.79 -0.94 -2.78 116.57 117.44 1ba5 h LYS 12 Ca -0.03 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1ba5 h LYS 12 Cb 0.73 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1ba5 h LYS 12 CO -0.10 0.55 0.36 -0.91 -1.08 0.00 0.00 179.45 178.27 1ba5 h ASN 13 N 0.48 0.54 0.01 0.86 2.35 -0.56 -2.45 115.58 116.80 1ba5 h ASN 13 Ca 0.13 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1ba5 h ASN 13 Cb 0.19 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1ba5 h ASN 13 CO -0.01 0.38 -0.00 0.25 -1.65 0.00 0.00 177.43 176.39 1ba5 h LEU 14 N 0.63 -0.01 0.59 1.61 5.85 -0.50 0.15 115.31 123.63 1ba5 h LEU 14 Ca 0.21 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1ba5 h LEU 14 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1ba5 h LEU 14 CO -0.05 0.24 -0.35 0.03 -0.34 0.00 0.00 178.44 177.96 1ba5 h ARG 15 N -0.26 -0.84 -0.70 1.25 3.08 -1.32 -0.78 114.38 114.82 1ba5 h ARG 15 Ca -0.00 0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1ba5 h ARG 15 Cb 0.25 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1ba5 h ARG 15 CO 0.00 -0.56 0.23 0.66 -1.07 0.00 0.00 179.97 179.23 1ba5 h SER 16 N -0.87 0.99 0.61 7.04 4.64 -1.55 -2.25 113.55 122.15 1ba5 h SER 16 Ca -0.08 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1ba5 h SER 16 Cb 0.69 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1ba5 h SER 16 CO 0.09 0.91 -0.43 1.23 -0.87 0.00 0.00 176.83 177.76 1ba5 h GLY 17 N 1.08 -1.12 1.01 -0.77 0.00 -0.62 0.10 103.07 102.76 1ba5 h GLY 17 Ca 0.23 0.48 0.01 0.00 0.00 0.00 0.00 47.33 48.05 1ba5 h GLY 17 CO -0.01 -0.38 0.62 -2.08 0.00 0.00 0.00 176.54 174.69 1ba5 h VAL 18 N -1.00 1.25 -0.74 4.60 2.07 -1.11 0.22 116.25 121.55 1ba5 h VAL 18 Ca -0.07 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1ba5 h VAL 18 Cb 0.83 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1ba5 h VAL 18 CO 0.04 0.25 0.33 -0.09 0.02 0.00 0.00 177.57 178.11 1ba5 h ARG 19 N 1.31 1.08 0.32 1.57 1.12 -1.20 0.13 114.38 118.70 1ba5 h ARG 19 Ca 0.35 -0.17 -0.02 0.00 -1.11 0.00 0.00 59.98 59.03 1ba5 h ARG 19 Cb -0.13 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.65 1ba5 h ARG 19 CO -0.07 0.86 -0.15 0.87 -3.11 0.00 0.00 179.97 178.36 1ba5 h LYS 20 N 1.04 -0.41 0.00 0.20 1.79 -0.41 -3.40 116.57 115.38 1ba5 h LYS 20 Ca 0.25 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1ba5 h LYS 20 Cb 0.16 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1ba5 h LYS 20 CO -0.03 -0.13 0.00 0.66 -1.08 0.00 0.00 179.45 178.87 1ba5 n TYR 21 N -5.07 0.00 0.00 -1.35 4.01 0.02 -5.08 117.16 109.69 1ba5 n TYR 21 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1ba5 n TYR 21 Cb 0.24 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1ba5 n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ba5 n GLY 22 N 0.50 1.63 3.70 2.72 0.00 0.45 -5.00 105.19 109.19 1ba5 n GLY 22 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1ba5 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ba5 s GLU 23 N -1.83 4.31 0.00 1.61 0.41 -1.26 -2.66 118.70 119.27 1ba5 s GLU 23 Ca 0.00 1.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 1ba5 s GLU 23 Cb 0.00 -3.47 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1ba5 s GLU 23 CO 0.00 -0.51 0.00 0.41 -0.49 0.00 0.00 175.26 174.67 1ba5 n GLY 24 N 3.56 0.88 2.51 -1.39 0.00 -1.26 -4.97 105.19 104.52 1ba5 n GLY 24 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1ba5 n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ba5 n ASN 25 N 0.00 6.60 0.03 1.61 4.13 -1.09 -4.56 115.26 121.98 1ba5 n ASN 25 Ca 0.00 -2.62 -0.19 0.00 1.68 0.00 0.00 54.58 53.45 1ba5 n ASN 25 Cb 0.00 -1.50 -0.12 0.00 -1.54 0.00 0.00 39.78 36.61 1ba5 n ASN 25 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1ba5 h TRP 26 N 5.61 0.63 -0.16 3.10 -0.00 -1.93 -3.14 115.95 120.04 1ba5 h TRP 26 Ca 0.72 -0.38 0.04 0.00 -0.00 0.00 0.00 58.89 59.26 1ba5 h TRP 26 Cb 0.38 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.46 1ba5 h TRP 26 CO 1.74 1.23 -0.06 1.03 -0.00 0.00 0.00 178.44 182.39 1ba5 h SER 27 N -0.15 -0.20 -0.75 -3.49 0.87 -1.99 -1.49 113.55 106.35 1ba5 h SER 27 Ca -0.11 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1ba5 h SER 27 Cb 1.48 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.52 1ba5 h SER 27 CO 0.14 -0.08 0.49 0.11 -0.53 0.00 0.00 176.83 176.96 1ba5 h LYS 28 N -0.03 0.94 -0.73 2.24 1.79 -1.94 -0.34 116.57 118.51 1ba5 h LYS 28 Ca 0.08 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1ba5 h LYS 28 Cb 0.15 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1ba5 h LYS 28 CO -0.18 0.62 0.46 0.82 -1.08 0.00 0.00 179.45 180.09 1ba5 h ILE 29 N 0.97 1.20 -0.28 1.86 2.04 -1.39 0.10 117.51 122.01 1ba5 h ILE 29 Ca 0.29 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 1ba5 h ILE 29 Cb -0.06 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1ba5 h ILE 29 CO -0.08 0.20 -0.49 -0.07 0.00 0.00 0.00 178.15 177.71 1ba5 h LEU 30 N 0.99 0.91 0.05 1.44 -0.00 -0.68 -1.59 115.31 116.44 1ba5 h LEU 30 Ca 0.27 -0.53 -0.25 0.00 -0.00 0.00 0.00 57.88 57.36 1ba5 h LEU 30 Cb -0.08 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.30 1ba5 h LEU 30 CO -0.05 1.26 -1.23 -0.07 -0.00 0.00 0.00 178.44 178.35 1ba5 h LEU 31 N 0.58 0.17 -4.29 1.67 -0.00 -0.92 -3.40 115.31 109.13 1ba5 h LEU 31 Ca 0.02 -0.20 -0.24 0.00 -0.00 0.00 0.00 57.88 57.45 1ba5 h LEU 31 Cb 1.09 -0.06 -0.37 0.00 -0.00 0.00 0.00 40.66 41.33 1ba5 h LEU 31 CO 0.11 1.17 -1.01 1.41 -0.00 0.00 0.00 178.44 180.12 1ba5 n HIS 32 N -3.38 0.98 -2.13 1.13 -0.00 0.01 -4.83 115.22 107.00 1ba5 n HIS 32 Ca -0.07 -1.61 -0.01 0.00 -0.00 0.00 0.00 57.72 56.03 1ba5 n HIS 32 Cb 0.99 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 30.74 1ba5 n HIS 32 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1ba5 n TYR 33 N -0.33 0.00 -2.69 4.41 9.36 -0.60 -4.90 117.16 122.41 1ba5 n TYR 33 Ca 0.13 -0.29 -0.03 0.00 3.32 0.00 0.00 57.90 61.02 1ba5 n TYR 33 Cb 0.92 0.17 -0.03 0.00 -0.63 0.00 0.00 39.34 39.77 1ba5 n TYR 33 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ba5 n LYS 34 N 0.13 -3.50 -3.86 2.98 4.81 -1.25 -4.90 118.16 112.56 1ba5 n LYS 34 Ca -0.07 2.70 -0.10 0.00 -0.87 0.00 0.00 58.31 59.97 1ba5 n LYS 34 Cb 0.77 -3.59 -0.06 0.00 0.02 0.00 0.00 35.03 32.18 1ba5 n LYS 34 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1ba5 s PHE 35 N -0.43 0.17 0.00 5.64 0.40 -1.26 -4.73 117.98 117.77 1ba5 s PHE 35 Ca -0.17 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1ba5 s PHE 35 Cb 0.01 0.12 0.00 0.00 0.51 0.00 0.00 43.02 43.67 1ba5 s PHE 35 CO 0.46 -0.79 0.00 0.09 0.70 0.00 0.00 175.22 175.68 1ba5 n ASN 36 N -0.26 0.00 -3.63 1.36 5.03 -1.26 -4.91 115.26 111.59 1ba5 n ASN 36 Ca -0.09 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.95 1ba5 n ASN 36 Cb 0.63 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.38 1ba5 n ASN 36 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1ba5 n ASN 37 N 0.00 4.82 -4.35 6.41 5.15 -1.26 -4.88 115.26 121.15 1ba5 n ASN 37 Ca 0.00 -2.77 -0.37 0.00 -0.60 0.00 0.00 54.58 50.84 1ba5 n ASN 37 Cb 0.00 -1.61 -0.13 0.00 -0.53 0.00 0.00 39.78 37.52 1ba5 n ASN 37 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ba5 s ARG 38 N 3.08 3.13 0.64 1.20 3.00 -1.26 -5.10 118.95 123.63 1ba5 s ARG 38 Ca 0.52 -0.83 -0.04 0.00 0.00 0.00 0.00 55.73 55.38 1ba5 s ARG 38 Cb 0.15 -3.36 0.04 0.00 0.00 0.00 0.00 34.95 31.78 1ba5 s ARG 38 CO -0.07 -0.42 0.91 0.95 0.00 0.00 0.00 175.30 176.67 1ba5 s THR 39 N 1.50 2.59 0.15 0.02 -4.23 -1.26 -4.87 115.64 109.54 1ba5 s THR 39 Ca 0.03 -0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 59.97 1ba5 s THR 39 Cb -0.17 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1ba5 s THR 39 CO 0.02 -0.06 1.68 0.77 -0.54 0.00 0.00 174.62 176.50 1ba5 h SER 40 N -0.31 -0.30 -0.87 3.99 4.64 -1.99 -0.94 113.55 117.77 1ba5 h SER 40 Ca -0.44 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 1ba5 h SER 40 Cb 1.30 0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 1ba5 h SER 40 CO 0.58 -0.11 0.58 -0.37 -0.87 0.00 0.00 176.83 176.63 1ba5 h VAL 41 N -0.02 1.21 0.11 0.95 -1.51 -1.99 -0.13 116.25 114.88 1ba5 h VAL 41 Ca 0.14 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1ba5 h VAL 41 Cb 0.23 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.34 1ba5 h VAL 41 CO -0.31 0.21 -0.05 0.24 -1.23 0.00 0.00 177.57 176.43 1ba5 h MET 42 N 1.17 -0.15 -0.44 5.19 2.07 -1.74 -0.31 114.93 120.72 1ba5 h MET 42 Ca 0.32 0.01 0.04 0.00 -2.07 0.00 0.00 59.70 58.00 1ba5 h MET 42 Cb -0.11 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 29.61 1ba5 h MET 42 CO -0.07 0.14 0.21 -0.07 1.07 0.00 0.00 176.91 178.19 1ba5 h LEU 43 N -0.44 0.29 0.16 1.22 3.38 -0.93 -0.38 115.31 118.61 1ba5 h LEU 43 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ba5 h LEU 43 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ba5 h LEU 43 CO 0.03 0.21 -0.08 0.50 0.09 0.00 0.00 178.44 179.19 1ba5 h LYS 44 N 0.42 -0.20 0.08 1.13 3.64 -0.97 0.10 116.57 120.77 1ba5 h LYS 44 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1ba5 h LYS 44 Cb 0.12 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ba5 h LYS 44 CO -0.15 -0.05 -0.09 0.22 -2.27 0.00 0.00 179.45 177.12 1ba5 h ASP 45 N -0.31 -0.23 -0.41 4.20 3.58 -0.84 -1.79 116.42 120.62 1ba5 h ASP 45 Ca -0.02 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1ba5 h ASP 45 Cb 0.25 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1ba5 h ASP 45 CO 0.04 -0.13 0.17 0.03 -2.88 0.00 0.00 179.24 176.46 1ba5 h ARG 46 N -0.19 0.62 -0.63 0.28 2.47 -1.06 -2.88 114.38 112.99 1ba5 h ARG 46 Ca 0.01 -0.11 0.09 0.00 -1.26 0.00 0.00 59.98 58.71 1ba5 h ARG 46 Cb 0.19 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.34 1ba5 h ARG 46 CO -0.03 0.58 0.26 2.35 0.56 0.00 0.00 179.97 183.69 1ba5 h TRP 47 N 0.52 0.46 -1.01 3.04 -0.00 -0.58 0.12 115.95 118.50 1ba5 h TRP 47 Ca 0.14 0.03 0.24 0.00 -0.00 0.00 0.00 58.89 59.30 1ba5 h TRP 47 Cb 0.19 -0.11 -0.11 0.00 -0.00 0.00 0.00 29.16 29.13 1ba5 h TRP 47 CO -0.00 0.14 0.62 -0.09 -0.00 0.00 0.00 178.44 179.11 1ba5 h ARG 48 N 0.46 0.55 0.08 2.65 2.43 -1.10 0.69 114.38 120.13 1ba5 h ARG 48 Ca 0.31 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.27 1ba5 h ARG 48 Cb 0.37 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1ba5 h ARG 48 CO -0.29 0.36 -0.75 1.15 -1.51 0.00 0.00 179.97 178.94 1ba5 h THR 49 N 0.56 1.47 -0.09 0.20 2.02 -1.05 -3.30 112.91 112.72 1ba5 h THR 49 Ca 0.62 -2.34 0.01 0.00 0.77 0.00 0.00 66.41 65.46 1ba5 h THR 49 Cb 1.24 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1ba5 h THR 49 CO -0.40 0.67 0.06 0.24 0.37 0.00 0.00 175.52 176.46 1ba5 h MET 50 N -0.23 0.08 -0.04 6.66 2.86 0.38 0.46 114.93 125.09 1ba5 h MET 50 Ca -0.12 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ba5 h MET 50 Cb 1.52 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 1ba5 h MET 50 CO 0.14 0.05 -0.02 0.87 1.06 0.00 0.00 176.91 179.01 1ba5 h LYS 51 N 0.08 0.05 0.03 1.72 1.57 -1.01 -3.02 116.57 115.99 1ba5 h LYS 51 Ca 0.03 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 1ba5 h LYS 51 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1ba5 h LYS 51 CO -0.01 0.08 -1.55 1.63 -0.57 0.00 0.00 179.45 179.03 1ba5 n LYS 52 N -4.48 0.61 0.00 3.15 4.76 -0.27 -5.13 118.16 116.80 1ba5 n LYS 52 Ca -0.02 0.48 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 1ba5 n LYS 52 Cb 0.13 -1.71 0.16 0.00 -1.84 0.00 0.00 35.03 31.76 1ba5 n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92