#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba5 n LYS 2 N 0.00 2.36 0.00 5.56 4.81 -1.26 -4.93 118.16 124.70 1ba5 n LYS 2 Ca 0.00 -1.34 0.00 0.00 -0.87 0.00 0.00 58.31 56.10 1ba5 n LYS 2 Cb 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1ba5 n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ba5 n ARG 3 N 2.55 0.00 -1.53 1.64 1.74 -1.26 -2.73 116.66 117.07 1ba5 n ARG 3 Ca 0.50 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.54 1ba5 n ARG 3 Cb 0.77 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.20 1ba5 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ba5 n GLN 4 N 0.00 0.39 0.00 5.56 10.64 -1.26 -5.03 117.38 127.67 1ba5 n GLN 4 Ca 0.00 -1.32 0.00 0.00 -1.83 0.00 0.00 57.00 53.85 1ba5 n GLN 4 Cb 0.00 0.31 0.00 0.00 -0.86 0.00 0.00 30.24 29.69 1ba5 n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ba5 n ALA 5 N -0.30 0.00 -3.32 2.61 0.00 -1.10 -4.93 120.51 113.47 1ba5 n ALA 5 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1ba5 n ALA 5 Cb 0.81 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 1ba5 n ALA 5 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ba5 s TRP 6 N -0.19 -0.76 0.70 0.00 0.52 -1.26 -5.04 118.94 112.90 1ba5 s TRP 6 Ca 0.00 -0.24 -0.06 0.00 0.02 0.00 0.00 56.10 55.82 1ba5 s TRP 6 Cb 0.00 -0.22 0.07 0.00 -1.15 0.00 0.00 33.47 32.17 1ba5 s TRP 6 CO 0.00 -1.00 1.00 -0.51 0.02 0.00 0.00 176.95 176.46 1ba5 s LEU 7 N 1.92 2.87 0.25 2.99 1.02 -1.26 -4.86 118.68 121.62 1ba5 s LEU 7 Ca 0.14 0.34 -0.05 0.00 0.02 0.00 0.00 54.13 54.58 1ba5 s LEU 7 Cb -0.12 -2.97 0.32 0.00 0.02 0.00 0.00 46.19 43.44 1ba5 s LEU 7 CO -0.15 -1.62 1.89 -0.25 0.02 0.00 0.00 176.35 176.25 1ba5 h TRP 8 N -0.57 1.17 0.39 0.29 7.01 -2.01 -0.57 115.95 121.66 1ba5 h TRP 8 Ca -0.44 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.57 1ba5 h TRP 8 Cb 1.31 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 1ba5 h TRP 8 CO 0.23 0.67 -0.19 0.93 -2.79 0.00 0.00 178.44 177.29 1ba5 h GLU 9 N 1.20 -0.51 -0.62 2.65 4.39 -1.99 0.13 114.58 119.84 1ba5 h GLU 9 Ca 0.39 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.19 1ba5 h GLU 9 Cb 0.02 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1ba5 h GLU 9 CO -0.13 -0.32 0.31 0.93 -1.16 0.00 0.00 179.01 178.64 1ba5 h GLU 10 N -0.56 0.55 -0.13 2.33 5.08 -1.78 0.03 114.58 120.10 1ba5 h GLU 10 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ba5 h GLU 10 Cb 0.43 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ba5 h GLU 10 CO 0.09 0.36 0.02 0.22 -1.00 0.00 0.00 179.01 178.71 1ba5 h ASP 11 N 0.57 0.20 -0.44 1.42 1.82 -1.00 -2.79 116.42 116.20 1ba5 h ASP 11 Ca 0.29 -0.25 0.06 0.00 -0.39 0.00 0.00 57.03 56.74 1ba5 h ASP 11 Cb 0.23 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 1ba5 h ASP 11 CO -0.21 0.40 0.14 0.50 -1.61 0.00 0.00 179.24 178.45 1ba5 h LYS 12 N -0.01 0.29 -0.50 0.28 3.64 -0.52 -0.81 116.57 118.94 1ba5 h LYS 12 Ca 0.04 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1ba5 h LYS 12 Cb 0.28 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1ba5 h LYS 12 CO 0.00 0.19 0.35 -0.91 -2.27 0.00 0.00 179.45 176.81 1ba5 h ASN 13 N 0.30 0.19 0.05 4.20 2.35 -0.90 -0.38 115.58 121.39 1ba5 h ASN 13 Ca 0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1ba5 h ASN 13 Cb 0.22 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ba5 h ASN 13 CO -0.23 0.12 -0.03 0.25 -1.65 0.00 0.00 177.43 175.89 1ba5 h LEU 14 N 0.22 -0.06 -0.57 1.61 5.85 -0.89 0.40 115.31 121.87 1ba5 h LEU 14 Ca 0.24 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 1ba5 h LEU 14 Cb 0.65 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1ba5 h LEU 14 CO -0.04 0.49 -0.04 0.08 -0.34 0.00 0.00 178.44 178.59 1ba5 h ARG 15 N -0.64 1.04 -0.03 1.25 0.11 -0.96 -0.26 114.38 114.87 1ba5 h ARG 15 Ca -0.01 -0.35 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 1ba5 h ARG 15 Cb 0.56 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 1ba5 h ARG 15 CO 0.01 1.04 -0.03 0.77 0.10 0.00 0.00 179.97 181.86 1ba5 h SER 16 N 0.93 0.09 0.23 0.08 0.02 -1.17 -2.32 113.55 111.40 1ba5 h SER 16 Ca 0.16 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1ba5 h SER 16 Cb 0.60 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ba5 h SER 16 CO 0.04 0.55 -0.11 1.23 -1.14 0.00 0.00 176.83 177.40 1ba5 h GLY 17 N -0.38 -0.32 1.05 -3.77 0.00 -0.87 -2.98 103.07 95.80 1ba5 h GLY 17 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ba5 h GLY 17 CO 0.01 -0.12 0.63 -2.08 0.00 0.00 0.00 176.54 174.98 1ba5 h VAL 18 N -0.35 1.24 0.00 4.60 2.07 -1.13 0.73 116.25 123.40 1ba5 h VAL 18 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ba5 h VAL 18 Cb 0.27 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1ba5 h VAL 18 CO 0.05 0.23 0.00 0.03 0.02 0.00 0.00 177.57 177.91 1ba5 h ARG 19 N 1.28 0.00 0.00 1.57 2.47 -1.26 0.27 114.38 118.71 1ba5 h ARG 19 Ca 0.35 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.06 1ba5 h ARG 19 Cb -0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1ba5 h ARG 19 CO -0.08 0.00 -0.86 1.63 0.56 0.00 0.00 179.97 181.21 1ba5 n LYS 20 N -2.69 0.43 0.07 0.04 4.01 -0.40 -4.73 118.16 114.90 1ba5 n LYS 20 Ca -0.02 0.17 -0.10 0.00 -0.51 0.00 0.00 58.31 57.86 1ba5 n LYS 20 Cb 0.09 -1.25 0.01 0.00 -0.51 0.00 0.00 35.03 33.37 1ba5 n LYS 20 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1ba5 h TYR 21 N -0.81 0.43 0.00 2.13 0.05 -0.96 -3.50 116.97 114.31 1ba5 h TYR 21 Ca -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1ba5 h TYR 21 Cb 0.83 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1ba5 h TYR 21 CO -0.34 0.99 0.00 0.41 -1.05 0.00 0.00 178.16 178.18 1ba5 n GLY 22 N 0.74 0.11 3.70 3.88 0.00 0.94 -4.83 105.19 109.73 1ba5 n GLY 22 Ca -0.04 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1ba5 n GLY 22 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ba5 n GLU 23 N 1.17 1.23 0.00 1.61 0.28 -1.26 -2.96 120.64 120.72 1ba5 n GLU 23 Ca 0.00 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1ba5 n GLU 23 Cb 0.00 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 30.43 1ba5 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ba5 n GLY 24 N 0.98 3.09 1.94 -1.84 0.00 -1.26 -4.91 105.19 103.18 1ba5 n GLY 24 Ca 0.14 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 0.62 5.36 -0.13 1.61 3.02 -1.15 -4.50 115.26 120.09 1ba5 n ASN 25 Ca 0.00 -2.53 -0.02 0.00 -0.03 0.00 0.00 54.58 52.00 1ba5 n ASN 25 Cb 0.00 -1.35 0.21 0.00 -0.61 0.00 0.00 39.78 38.03 1ba5 n ASN 25 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1ba5 h TRP 26 N 2.61 0.84 -0.50 3.10 -0.00 -1.91 -0.33 115.95 119.75 1ba5 h TRP 26 Ca 0.17 -0.06 0.06 0.00 -0.00 0.00 0.00 58.89 59.05 1ba5 h TRP 26 Cb 1.36 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 30.24 1ba5 h TRP 26 CO 1.46 0.68 0.33 0.66 -0.00 0.00 0.00 178.44 181.58 1ba5 h SER 27 N 0.80 0.39 0.00 -3.49 4.64 -2.01 -0.14 113.55 113.75 1ba5 h SER 27 Ca 0.18 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1ba5 h SER 27 Cb 0.24 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ba5 h SER 27 CO -0.01 0.26 -0.53 0.11 -0.87 0.00 0.00 176.83 175.79 1ba5 h LYS 28 N 0.45 0.00 -0.63 4.77 1.79 -1.74 -3.33 116.57 117.87 1ba5 h LYS 28 Ca 0.21 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.78 1ba5 h LYS 28 Cb 0.28 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 1ba5 h LYS 28 CO -0.06 0.93 0.25 0.82 -1.08 0.00 0.00 179.45 180.31 1ba5 h ILE 29 N -1.00 0.77 -0.93 1.86 2.04 -0.89 -0.04 117.51 119.32 1ba5 h ILE 29 Ca -0.14 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1ba5 h ILE 29 Cb 1.07 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1ba5 h ILE 29 CO -0.09 0.08 0.60 -0.07 0.00 0.00 0.00 178.15 178.67 1ba5 h LEU 30 N 0.43 0.90 0.12 1.44 3.38 -1.19 0.13 115.31 120.53 1ba5 h LEU 30 Ca 0.32 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 1ba5 h LEU 30 Cb 0.40 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.99 1ba5 h LEU 30 CO -0.31 0.56 -0.72 -0.07 0.09 0.00 0.00 178.44 177.99 1ba5 h LEU 31 N 1.01 0.42 0.41 1.67 -0.00 -1.40 -3.39 115.31 114.03 1ba5 h LEU 31 Ca 0.42 -0.95 -0.02 0.00 -0.00 0.00 0.00 57.88 57.32 1ba5 h LEU 31 Cb 0.28 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1ba5 h LEU 31 CO -0.17 1.34 -0.20 0.45 -0.00 0.00 0.00 178.44 179.86 1ba5 h HIS 32 N -0.43 -0.51 -3.41 1.13 3.86 -0.86 -3.46 115.15 111.48 1ba5 h HIS 32 Ca -0.12 -0.01 -0.47 0.00 -1.16 0.00 0.00 60.37 58.61 1ba5 h HIS 32 Cb 1.56 0.17 0.05 0.00 1.06 0.00 0.00 27.41 30.25 1ba5 h HIS 32 CO 0.20 -0.21 0.11 0.71 0.86 0.00 0.00 177.93 179.61 1ba5 s TYR 33 N -3.98 3.19 -0.29 2.45 1.51 0.02 -5.02 117.35 115.22 1ba5 s TYR 33 Ca -0.12 0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 56.15 1ba5 s TYR 33 Cb 0.01 -2.69 0.01 0.00 -0.11 0.00 0.00 41.96 39.17 1ba5 s TYR 33 CO 0.40 -0.79 1.19 0.21 -1.11 0.00 0.00 175.55 175.45 1ba5 s LYS 34 N -4.91 4.03 0.19 -0.62 2.20 -1.26 -4.66 119.74 114.71 1ba5 s LYS 34 Ca 0.54 1.22 -0.10 0.00 -0.36 0.00 0.00 55.97 57.26 1ba5 s LYS 34 Cb -0.10 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1ba5 s LYS 34 CO 0.43 -0.96 0.34 -0.06 -0.36 0.00 0.00 175.35 174.74 1ba5 s PHE 35 N 3.92 0.41 0.00 4.03 0.08 -1.26 -4.82 117.98 120.34 1ba5 s PHE 35 Ca 0.51 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ba5 s PHE 35 Cb -0.15 0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.30 1ba5 s PHE 35 CO 0.18 -0.81 0.00 -1.71 -0.10 0.00 0.00 175.22 172.79 1ba5 n ASN 36 N -0.28 0.00 -3.45 1.36 2.85 -1.26 -4.94 115.26 109.54 1ba5 n ASN 36 Ca -0.05 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.04 1ba5 n ASN 36 Cb 0.63 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.63 1ba5 n ASN 36 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ba5 n ASN 37 N 0.00 6.37 -4.64 1.20 4.13 -1.26 -4.91 115.26 116.16 1ba5 n ASN 37 Ca 0.00 -2.64 -0.41 0.00 1.68 0.00 0.00 54.58 53.22 1ba5 n ASN 37 Cb 0.00 -1.51 -0.06 0.00 -1.54 0.00 0.00 39.78 36.67 1ba5 n ASN 37 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1ba5 s ARG 38 N 2.82 4.14 0.65 3.52 6.06 -1.26 -5.05 118.95 129.83 1ba5 s ARG 38 Ca 0.58 0.67 -0.12 0.00 -2.50 0.00 0.00 55.73 54.36 1ba5 s ARG 38 Cb 0.16 -3.64 -0.02 0.00 0.06 0.00 0.00 34.95 31.51 1ba5 s ARG 38 CO -0.05 -0.42 1.05 0.99 -2.50 0.00 0.00 175.30 174.36 1ba5 s THR 39 N 2.52 4.13 0.19 4.11 2.01 -1.26 -4.86 115.64 122.48 1ba5 s THR 39 Ca 0.29 0.78 -0.12 0.00 0.31 0.00 0.00 61.69 62.95 1ba5 s THR 39 Cb -0.15 -3.50 0.11 0.00 0.01 0.00 0.00 72.50 68.97 1ba5 s THR 39 CO 0.08 -0.81 1.73 -1.28 -0.69 0.00 0.00 174.62 173.65 1ba5 h SER 40 N -0.27 0.12 -0.56 3.53 0.87 -1.99 -1.25 113.55 113.99 1ba5 h SER 40 Ca -0.45 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1ba5 h SER 40 Cb 1.21 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1ba5 h SER 40 CO 0.58 0.09 0.26 1.62 -0.53 0.00 0.00 176.83 178.85 1ba5 h VAL 41 N 0.31 1.21 -0.18 2.23 3.04 -1.98 -0.12 116.25 120.75 1ba5 h VAL 41 Ca 0.25 -0.61 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1ba5 h VAL 41 Cb 0.30 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1ba5 h VAL 41 CO -0.28 0.25 0.03 0.24 -1.01 0.00 0.00 177.57 176.80 1ba5 h MET 42 N 0.85 0.30 -0.15 4.17 2.07 -1.64 0.46 114.93 120.99 1ba5 h MET 42 Ca 0.21 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 1ba5 h MET 42 Cb 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 1ba5 h MET 42 CO -0.02 0.45 0.07 -0.07 1.07 0.00 0.00 176.91 178.41 1ba5 h LEU 43 N 0.09 0.20 -0.30 1.22 3.38 -0.98 0.40 115.31 119.32 1ba5 h LEU 43 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ba5 h LEU 43 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ba5 h LEU 43 CO 0.00 0.26 0.20 0.50 0.09 0.00 0.00 178.44 179.49 1ba5 h LYS 44 N 0.12 0.40 -0.15 1.13 1.63 -0.95 -0.30 116.57 118.45 1ba5 h LYS 44 Ca 0.05 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1ba5 h LYS 44 Cb 0.11 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1ba5 h LYS 44 CO -0.01 0.27 0.02 0.22 -3.45 0.00 0.00 179.45 176.50 1ba5 h ASP 45 N 0.40 0.24 -0.50 4.20 3.58 -0.80 0.69 116.42 124.23 1ba5 h ASP 45 Ca 0.11 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.33 1ba5 h ASP 45 Cb -0.04 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1ba5 h ASP 45 CO -0.02 0.45 0.25 -0.09 -2.88 0.00 0.00 179.24 176.95 1ba5 h ARG 46 N 0.02 0.47 -0.49 0.28 9.65 -0.77 -0.84 114.38 122.70 1ba5 h ARG 46 Ca 0.04 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.78 1ba5 h ARG 46 Cb 0.32 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1ba5 h ARG 46 CO 0.00 0.31 -0.15 2.35 2.80 0.00 0.00 179.97 185.29 1ba5 h TRP 47 N 0.49 1.07 0.05 2.20 -0.00 -0.96 -2.53 115.95 116.27 1ba5 h TRP 47 Ca 0.22 -0.23 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1ba5 h TRP 47 Cb 0.14 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.02 1ba5 h TRP 47 CO -0.11 1.02 -0.11 -0.09 -0.00 0.00 0.00 178.44 179.16 1ba5 h ARG 48 N 0.84 -0.20 0.00 2.65 2.43 -0.04 0.37 114.38 120.42 1ba5 h ARG 48 Ca 0.12 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1ba5 h ARG 48 Cb 0.70 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1ba5 h ARG 48 CO 0.05 -0.13 -0.06 0.00 -1.51 0.00 0.00 179.97 178.32 1ba5 h THR 49 N -0.21 0.18 0.13 0.20 1.03 -1.16 -2.78 112.91 110.30 1ba5 h THR 49 Ca 0.02 -0.55 -0.29 0.00 -0.01 0.00 0.00 66.41 65.59 1ba5 h THR 49 Cb 0.23 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1ba5 h THR 49 CO -0.07 0.06 -1.34 0.24 -0.01 0.00 0.00 175.52 174.40 1ba5 h MET 50 N 0.00 0.28 -0.74 0.00 2.86 -0.91 -3.32 114.93 113.10 1ba5 h MET 50 Ca -0.00 -0.49 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1ba5 h MET 50 Cb 0.45 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1ba5 h MET 50 CO 0.01 1.21 0.49 0.87 1.06 0.00 0.00 176.91 180.54 1ba5 h LYS 51 N 0.08 0.83 -0.15 1.72 1.57 -0.66 0.13 116.57 120.10 1ba5 h LYS 51 Ca -0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ba5 h LYS 51 Cb 2.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.12 1ba5 h LYS 51 CO 0.20 0.55 0.00 0.36 -0.57 0.00 0.00 179.45 179.99 1ba5 n LYS 52 N -4.46 1.20 -0.38 3.15 2.85 -1.22 -5.13 118.16 114.17 1ba5 n LYS 52 Ca 0.10 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1ba5 n LYS 52 Cb 0.16 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1ba5 n LYS 52 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63