#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 0.00 -3.81 -0.14 4.76 -1.26 -4.42 118.16 113.30 1ba5 n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1ba5 n LYS 2 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 1ba5 n LYS 2 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ba5 s ARG 3 N 0.00 0.41 0.43 1.97 6.06 -1.26 -5.15 118.95 121.42 1ba5 s ARG 3 Ca 0.00 0.02 -0.24 0.00 -2.50 0.00 0.00 55.73 53.01 1ba5 s ARG 3 Cb 0.00 0.19 -0.08 0.00 0.06 0.00 0.00 34.95 35.12 1ba5 s ARG 3 CO 0.00 -0.09 1.17 -1.14 -2.50 0.00 0.00 175.30 172.75 1ba5 s GLN 4 N -0.59 3.89 1.17 5.12 2.00 -1.26 -5.02 119.66 124.96 1ba5 s GLN 4 Ca -0.07 1.82 -0.17 0.00 -2.00 0.00 0.00 55.36 54.94 1ba5 s GLN 4 Cb -0.04 -2.53 0.27 0.00 0.80 0.00 0.00 33.01 31.51 1ba5 s GLN 4 CO 0.01 -0.46 1.07 0.00 -0.50 0.00 0.00 175.29 175.42 1ba5 s ALA 5 N -1.48 0.41 0.91 1.58 0.00 -1.26 -5.01 121.76 116.91 1ba5 s ALA 5 Ca 0.61 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1ba5 s ALA 5 Cb -0.30 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 19.97 1ba5 s ALA 5 CO 0.37 -3.54 1.09 -1.58 0.00 0.00 0.00 175.76 172.10 1ba5 s TRP 6 N -2.85 2.13 0.79 0.00 0.52 -1.26 -5.02 118.94 113.25 1ba5 s TRP 6 Ca 0.69 1.37 -0.11 0.00 0.02 0.00 0.00 56.10 58.06 1ba5 s TRP 6 Cb -0.14 -3.16 0.07 0.00 -1.15 0.00 0.00 33.47 29.08 1ba5 s TRP 6 CO 0.58 -2.55 1.10 -0.51 0.02 0.00 0.00 176.95 175.58 1ba5 s LEU 7 N -6.36 2.62 0.19 2.99 1.43 -1.26 -4.82 118.68 113.47 1ba5 s LEU 7 Ca 0.64 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1ba5 s LEU 7 Cb -0.19 -3.94 0.14 0.00 0.03 0.00 0.00 46.19 42.23 1ba5 s LEU 7 CO 0.58 -1.95 1.83 4.11 0.23 0.00 0.00 176.35 181.14 1ba5 h TRP 8 N -1.08 0.68 -0.54 0.29 5.08 -1.99 -0.45 115.95 117.94 1ba5 h TRP 8 Ca -0.47 0.02 -0.11 0.00 1.08 0.00 0.00 58.89 59.41 1ba5 h TRP 8 Cb 1.27 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 27.19 1ba5 h TRP 8 CO 0.47 0.38 -0.11 1.05 -1.28 0.00 0.00 178.44 178.95 1ba5 h GLU 9 N 0.71 1.02 -0.44 0.12 4.11 -1.98 -0.99 114.58 117.13 1ba5 h GLU 9 Ca 0.24 -0.38 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1ba5 h GLU 9 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ba5 h GLU 9 CO -0.11 1.06 0.16 0.93 0.07 0.00 0.00 179.01 181.13 1ba5 h GLU 10 N 0.90 0.66 -0.22 1.06 5.08 -1.79 0.13 114.58 120.41 1ba5 h GLU 10 Ca 0.14 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ba5 h GLU 10 Cb 0.68 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ba5 h GLU 10 CO 0.05 0.62 0.11 0.22 -1.00 0.00 0.00 179.01 179.01 1ba5 h ASP 11 N 0.56 0.28 -0.54 1.42 3.58 -0.96 -1.00 116.42 119.75 1ba5 h ASP 11 Ca 0.14 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1ba5 h ASP 11 Cb 0.22 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1ba5 h ASP 11 CO -0.01 0.31 0.31 0.50 -2.88 0.00 0.00 179.24 177.46 1ba5 h LYS 12 N 0.23 0.58 -0.55 0.28 1.63 -0.95 -1.09 116.57 116.70 1ba5 h LYS 12 Ca 0.08 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1ba5 h LYS 12 Cb 0.10 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1ba5 h LYS 12 CO -0.01 0.38 0.32 -0.91 -3.45 0.00 0.00 179.45 175.78 1ba5 h ASN 13 N 0.60 0.51 0.63 4.20 2.35 -0.45 0.02 115.58 123.44 1ba5 h ASN 13 Ca 0.23 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1ba5 h ASN 13 Cb 0.08 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ba5 h ASN 13 CO -0.13 0.35 -0.30 0.25 -1.65 0.00 0.00 177.43 175.95 1ba5 h LEU 14 N 0.63 -0.72 -0.22 1.61 5.85 -0.56 0.96 115.31 122.85 1ba5 h LEU 14 Ca 0.23 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1ba5 h LEU 14 Cb 0.05 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1ba5 h LEU 14 CO -0.11 -0.48 -0.07 0.03 -0.34 0.00 0.00 178.44 177.46 1ba5 h ARG 15 N -0.90 -0.02 0.56 1.25 3.08 -1.07 -0.47 114.38 116.80 1ba5 h ARG 15 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1ba5 h ARG 15 Cb 0.67 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ba5 h ARG 15 CO 0.14 -0.01 -0.27 1.03 -1.07 0.00 0.00 179.97 179.79 1ba5 h SER 16 N -0.02 -0.63 -0.47 7.04 0.87 -0.95 -2.11 113.55 117.28 1ba5 h SER 16 Ca 0.11 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1ba5 h SER 16 Cb 0.19 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1ba5 h SER 16 CO -0.24 -0.35 0.16 1.23 -0.53 0.00 0.00 176.83 177.10 1ba5 h GLY 17 N -0.90 0.61 0.99 5.77 0.00 -0.73 -2.38 103.07 106.44 1ba5 h GLY 17 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ba5 h GLY 17 CO 0.13 0.01 0.29 -2.08 0.00 0.00 0.00 176.54 174.88 1ba5 h VAL 18 N 0.33 1.16 0.00 4.60 2.07 -1.09 0.46 116.25 123.78 1ba5 h VAL 18 Ca 0.22 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ba5 h VAL 18 Cb 0.23 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ba5 h VAL 18 CO -0.23 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.07 1ba5 n ARG 19 N -4.68 0.16 -0.06 1.57 1.74 -0.80 -0.04 116.66 114.56 1ba5 n ARG 19 Ca 0.02 0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1ba5 n ARG 19 Cb 0.07 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1ba5 n ARG 19 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ba5 n LYS 20 N -1.30 0.38 0.05 5.56 5.02 -0.61 -4.78 118.16 122.47 1ba5 n LYS 20 Ca 0.06 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1ba5 n LYS 20 Cb 0.10 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 1ba5 n LYS 20 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ba5 n TYR 21 N -4.07 0.63 0.00 2.13 4.01 0.05 -5.09 117.16 114.82 1ba5 n TYR 21 Ca -0.18 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1ba5 n TYR 21 Cb 0.48 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 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 1.25 2.41 2.71 2.72 0.00 0.94 -4.56 105.19 110.67 1ba5 n GLY 22 Ca -0.04 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 1.46 2.88 0.00 1.61 0.28 -1.26 -3.28 120.64 122.33 1ba5 n GLU 23 Ca 0.00 -2.57 0.00 0.00 -0.16 0.00 0.00 57.16 54.43 1ba5 n GLU 23 Cb 0.00 -3.26 0.00 0.00 1.43 0.00 0.00 31.44 29.61 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 4.08 0.05 2.36 -1.84 0.00 -1.26 -4.99 105.19 103.58 1ba5 n GLY 24 Ca 0.53 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.27 8.24 0.13 1.61 3.02 -1.20 -4.58 115.26 121.20 1ba5 n ASN 25 Ca 0.00 -2.57 0.01 0.00 -0.03 0.00 0.00 54.58 51.99 1ba5 n ASN 25 Cb 0.00 -1.53 0.31 0.00 -0.61 0.00 0.00 39.78 37.95 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 5.15 0.19 -0.06 3.10 4.06 -1.94 -2.78 115.95 123.67 1ba5 h TRP 26 Ca 0.84 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.79 1ba5 h TRP 26 Cb 0.29 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.36 1ba5 h TRP 26 CO 1.87 0.48 -0.26 0.77 -3.56 0.00 0.00 178.44 177.74 1ba5 h SER 27 N 0.15 -0.78 0.51 -3.49 0.02 -2.00 -0.91 113.55 107.04 1ba5 h SER 27 Ca 0.02 0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.88 1ba5 h SER 27 Cb 0.65 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1ba5 h SER 27 CO 0.05 -0.32 -0.91 0.07 -1.14 0.00 0.00 176.83 174.58 1ba5 h LYS 28 N -0.37 0.26 -0.79 3.45 2.10 -1.96 -3.15 116.57 116.12 1ba5 h LYS 28 Ca 0.08 -0.29 0.07 0.00 -2.00 0.00 0.00 60.65 58.51 1ba5 h LYS 28 Cb 0.48 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.84 1ba5 h LYS 28 CO -0.27 1.01 0.52 0.82 -2.00 0.00 0.00 179.45 179.52 1ba5 h ILE 29 N 0.15 1.01 -0.22 0.07 2.04 -1.18 0.58 117.51 119.95 1ba5 h ILE 29 Ca -0.06 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1ba5 h ILE 29 Cb 1.54 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ba5 h ILE 29 CO 0.14 0.15 0.15 0.25 0.00 0.00 0.00 178.15 178.85 1ba5 h LEU 30 N 0.82 0.08 0.00 1.44 5.85 -1.13 0.85 115.31 123.23 1ba5 h LEU 30 Ca 0.35 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 1ba5 h LEU 30 Cb 0.30 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ba5 h LEU 30 CO -0.13 0.06 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.11 1ba5 h LEU 31 N 0.10 0.00 -1.23 2.25 3.38 -1.07 -3.38 115.31 115.36 1ba5 h LEU 31 Ca 0.10 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1ba5 h LEU 31 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ba5 h LEU 31 CO -0.01 1.29 0.10 0.45 0.09 0.00 0.00 178.44 180.36 1ba5 h HIS 32 N -1.00 0.64 -4.26 1.13 3.86 -1.02 -3.42 115.15 111.09 1ba5 h HIS 32 Ca -0.23 -0.05 -0.67 0.00 -1.16 0.00 0.00 60.37 58.26 1ba5 h HIS 32 Cb 1.14 -0.19 -0.31 0.00 1.06 0.00 0.00 27.41 29.12 1ba5 h HIS 32 CO 0.12 0.56 -0.88 0.71 0.86 0.00 0.00 177.93 179.30 1ba5 s TYR 33 N -5.15 2.25 0.16 2.45 1.51 0.28 -5.09 117.35 113.76 1ba5 s TYR 33 Ca -0.08 -0.56 -0.31 0.00 -1.01 0.00 0.00 57.07 55.11 1ba5 s TYR 33 Cb 0.16 -1.47 -0.09 0.00 -0.11 0.00 0.00 41.96 40.45 1ba5 s TYR 33 CO 0.77 -0.13 1.40 0.21 -1.11 0.00 0.00 175.55 176.69 1ba5 s LYS 34 N -0.34 4.31 -0.21 -0.62 2.47 -1.26 -4.39 119.74 119.71 1ba5 s LYS 34 Ca 0.02 2.14 -0.04 0.00 -1.56 0.00 0.00 55.97 56.53 1ba5 s LYS 34 Cb -0.12 -3.21 0.11 0.00 -1.46 0.00 0.00 37.83 33.15 1ba5 s LYS 34 CO 0.01 -0.42 0.36 -0.06 0.16 0.00 0.00 175.35 175.41 1ba5 s PHE 35 N 0.75 -0.71 -0.37 4.03 0.08 -1.26 -4.88 117.98 115.63 1ba5 s PHE 35 Ca 0.63 1.02 -0.22 0.00 0.12 0.00 0.00 56.93 58.48 1ba5 s PHE 35 Cb -0.38 0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1ba5 s PHE 35 CO 0.34 -0.58 0.72 -0.80 -0.10 0.00 0.00 175.22 174.79 1ba5 s ASN 36 N 2.53 6.49 -1.67 1.36 0.01 -1.26 -3.96 114.94 118.43 1ba5 s ASN 36 Ca 0.06 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 1ba5 s ASN 36 Cb -0.14 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.16 1ba5 s ASN 36 CO -0.13 -0.69 0.00 0.59 -1.51 0.00 0.00 177.10 175.36 1ba5 n ASN 37 N 6.27 -5.01 -4.04 -1.22 3.02 -1.26 -4.95 115.26 108.07 1ba5 n ASN 37 Ca 0.01 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 1ba5 n ASN 37 Cb 0.48 -4.31 -0.16 0.00 -0.61 0.00 0.00 39.78 35.19 1ba5 n ASN 37 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ba5 s ARG 38 N -4.45 2.28 0.01 3.52 3.00 -1.25 -5.01 118.95 117.04 1ba5 s ARG 38 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 55.73 54.48 1ba5 s ARG 38 Cb 0.00 -2.56 0.07 0.00 0.00 0.00 0.00 34.95 32.46 1ba5 s ARG 38 CO 0.00 -0.42 0.68 -0.08 0.00 0.00 0.00 175.30 175.49 1ba5 s THR 39 N 1.30 0.00 0.00 0.02 -1.32 -1.26 -4.78 115.64 109.61 1ba5 s THR 39 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1ba5 s THR 39 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1ba5 s THR 39 CO -0.08 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.13 1ba5 n SER 40 N 0.46 0.00 -0.21 8.08 7.64 -1.26 -1.25 113.62 127.08 1ba5 n SER 40 Ca -0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.83 1ba5 n SER 40 Cb 0.60 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.22 1ba5 n SER 40 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ba5 h VAL 41 N 0.00 0.86 0.05 0.44 3.04 -1.98 -0.87 116.25 117.79 1ba5 h VAL 41 Ca 0.00 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1ba5 h VAL 41 Cb 0.00 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1ba5 h VAL 41 CO 0.00 0.11 -0.03 0.24 -1.01 0.00 0.00 177.57 176.88 1ba5 h MET 42 N 0.60 -0.07 -0.34 4.17 2.07 -1.57 0.17 114.93 119.96 1ba5 h MET 42 Ca 0.39 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 58.01 1ba5 h MET 42 Cb 0.68 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.41 1ba5 h MET 42 CO -0.15 0.20 0.16 -0.07 1.07 0.00 0.00 176.91 178.12 1ba5 h LEU 43 N -0.34 0.45 -0.48 1.22 3.38 -1.58 -1.62 115.31 116.34 1ba5 h LEU 43 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ba5 h LEU 43 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ba5 h LEU 43 CO 0.01 0.45 0.25 0.50 0.09 0.00 0.00 178.44 179.74 1ba5 h LYS 44 N 0.41 0.67 -0.17 1.13 3.64 -1.14 -0.01 116.57 121.12 1ba5 h LYS 44 Ca 0.12 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ba5 h LYS 44 Cb 0.12 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ba5 h LYS 44 CO -0.01 0.54 0.10 0.22 -2.27 0.00 0.00 179.45 178.03 1ba5 h ASP 45 N 0.63 0.20 -0.40 4.20 3.58 -0.44 -0.49 116.42 123.70 1ba5 h ASP 45 Ca 0.17 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 1ba5 h ASP 45 Cb 0.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1ba5 h ASP 45 CO -0.03 0.17 -0.04 -0.09 -2.88 0.00 0.00 179.24 176.37 1ba5 h ARG 46 N 0.20 0.73 0.60 0.28 2.43 -1.20 -3.09 114.38 114.33 1ba5 h ARG 46 Ca 0.06 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1ba5 h ARG 46 Cb 0.01 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1ba5 h ARG 46 CO -0.01 0.84 -0.29 2.35 -1.51 0.00 0.00 179.97 181.35 1ba5 h TRP 47 N 0.55 -0.74 -0.08 2.20 2.91 -0.76 -1.02 115.95 119.00 1ba5 h TRP 47 Ca 0.11 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.13 1ba5 h TRP 47 Cb 0.54 0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1ba5 h TRP 47 CO 0.04 -0.43 0.12 0.07 -1.03 0.00 0.00 178.44 177.21 1ba5 h ARG 48 N -0.87 0.00 0.00 2.65 -0.00 -1.16 0.17 114.38 115.17 1ba5 h ARG 48 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.84 1ba5 h ARG 48 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.60 1ba5 h ARG 48 CO 0.13 0.00 -0.42 1.79 -0.00 0.00 0.00 179.97 181.47 1ba5 h THR 49 N 0.00 0.86 0.00 0.08 1.35 -1.41 -3.35 112.91 110.44 1ba5 h THR 49 Ca 0.04 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1ba5 h THR 49 Cb 0.28 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ba5 h THR 49 CO -0.00 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.56 1ba5 h MET 50 N -1.00 0.00 -0.55 4.72 -0.00 -0.86 -0.34 114.93 116.89 1ba5 h MET 50 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.65 1ba5 h MET 50 Cb 0.78 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.33 1ba5 h MET 50 CO -0.06 0.00 0.29 -0.22 -0.00 0.00 0.00 176.91 176.93 1ba5 h LYS 51 N 0.00 0.55 0.20 -0.10 1.63 -0.79 -2.77 116.57 115.29 1ba5 h LYS 51 Ca 0.00 -0.03 -0.32 0.00 -0.85 0.00 0.00 60.65 59.44 1ba5 h LYS 51 Cb 0.27 -0.12 0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1ba5 h LYS 51 CO 0.00 0.36 -1.54 -0.22 -3.45 0.00 0.00 179.45 174.61 1ba5 h LYS 52 N 0.57 0.43 0.00 1.90 3.11 -1.57 -3.52 116.57 117.49 1ba5 h LYS 52 Ca 0.24 -0.73 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1ba5 h LYS 52 Cb 0.12 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1ba5 h LYS 52 CO -0.15 1.35 0.00 -0.11 -2.81 0.00 0.00 179.45 177.73