#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 -3.58 5.56 4.76 -1.26 -4.28 118.16 119.36 1ba5 n LYS 2 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1ba5 n LYS 2 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 0.28 0.75 1.97 3.52 -1.26 -5.16 118.95 119.06 1ba5 s ARG 3 Ca 0.00 0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 56.32 1ba5 s ARG 3 Cb 0.00 0.00 0.04 0.00 -1.56 0.00 0.00 34.95 33.43 1ba5 s ARG 3 CO 0.00 -0.37 1.08 1.14 -0.81 0.00 0.00 175.30 176.34 1ba5 s GLN 4 N 2.55 2.46 0.21 5.12 -2.07 -1.26 -5.07 119.66 121.60 1ba5 s GLN 4 Ca 0.03 1.04 -0.22 0.00 -1.82 0.00 0.00 55.36 54.38 1ba5 s GLN 4 Cb -0.13 -1.93 0.05 0.00 -1.09 0.00 0.00 33.01 29.91 1ba5 s GLN 4 CO -0.13 -1.46 0.67 0.00 -1.32 0.00 0.00 175.29 173.05 1ba5 s ALA 5 N -2.98 -1.43 0.85 2.60 0.00 -1.26 -5.18 121.76 114.37 1ba5 s ALA 5 Ca 0.60 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1ba5 s ALA 5 Cb -0.16 0.86 0.11 0.00 0.00 0.00 0.00 23.12 23.93 1ba5 s ALA 5 CO 0.56 -0.90 1.18 -1.58 0.00 0.00 0.00 175.76 175.02 1ba5 s TRP 6 N -3.81 2.69 0.45 0.00 0.52 -1.26 -5.08 118.94 112.46 1ba5 s TRP 6 Ca 0.06 0.72 0.01 0.00 0.02 0.00 0.00 56.10 56.92 1ba5 s TRP 6 Cb -0.03 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 1ba5 s TRP 6 CO -0.03 -2.01 0.67 -0.48 0.02 0.00 0.00 176.95 175.11 1ba5 s LEU 7 N -5.72 3.62 0.16 2.99 2.34 -1.26 -4.93 118.68 115.88 1ba5 s LEU 7 Ca 0.64 0.17 -0.16 0.00 0.06 0.00 0.00 54.13 54.84 1ba5 s LEU 7 Cb -0.11 -3.06 0.10 0.00 -0.56 0.00 0.00 46.19 42.56 1ba5 s LEU 7 CO 0.50 -0.75 1.71 4.11 -1.06 0.00 0.00 176.35 180.86 1ba5 h TRP 8 N 0.40 0.02 -0.37 3.48 5.08 -1.99 -1.57 115.95 121.00 1ba5 h TRP 8 Ca -0.45 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.52 1ba5 h TRP 8 Cb 1.26 0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 27.45 1ba5 h TRP 8 CO 0.43 -0.05 0.15 1.49 -1.28 0.00 0.00 178.44 179.18 1ba5 h GLU 9 N 0.13 0.56 -0.43 0.12 4.81 -1.98 -0.44 114.58 117.35 1ba5 h GLU 9 Ca 0.19 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ba5 h GLU 9 Cb 0.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1ba5 h GLU 9 CO -0.30 0.54 0.28 1.49 -0.73 0.00 0.00 179.01 180.30 1ba5 h GLU 10 N 0.46 0.58 -0.05 1.92 4.81 -1.81 0.21 114.58 120.69 1ba5 h GLU 10 Ca 0.12 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ba5 h GLU 10 Cb 0.19 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ba5 h GLU 10 CO -0.01 0.40 0.03 0.22 -0.73 0.00 0.00 179.01 178.91 1ba5 h ASP 11 N 0.58 0.06 -0.73 1.04 3.58 -1.15 -1.91 116.42 117.90 1ba5 h ASP 11 Ca 0.16 -0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.59 1ba5 h ASP 11 Cb -0.05 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 1ba5 h ASP 11 CO -0.03 0.13 0.41 0.50 -2.88 0.00 0.00 179.24 177.37 1ba5 h LYS 12 N -0.02 0.70 0.21 0.28 3.11 -0.74 -0.59 116.57 119.52 1ba5 h LYS 12 Ca 0.02 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1ba5 h LYS 12 Cb 0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1ba5 h LYS 12 CO -0.00 0.47 -0.15 -0.91 -2.81 0.00 0.00 179.45 176.04 1ba5 h ASN 13 N 0.72 -0.39 0.76 4.20 2.35 -0.32 0.90 115.58 123.80 1ba5 h ASN 13 Ca 0.33 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 1ba5 h ASN 13 Cb 0.25 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1ba5 h ASN 13 CO -0.21 -0.24 -0.50 0.25 -1.65 0.00 0.00 177.43 175.08 1ba5 h LEU 14 N -0.37 -1.27 0.03 1.61 6.46 -0.95 0.63 115.31 121.45 1ba5 h LEU 14 Ca -0.01 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1ba5 h LEU 14 Cb 0.32 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1ba5 h LEU 14 CO -0.00 -0.75 -0.26 -0.09 -0.62 0.00 0.00 178.44 176.72 1ba5 h ARG 15 N -1.18 -0.40 -0.46 1.25 2.43 -1.08 0.16 114.38 115.09 1ba5 h ARG 15 Ca -0.10 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ba5 h ARG 15 Cb 0.96 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1ba5 h ARG 15 CO 0.08 -0.27 0.14 1.03 -1.51 0.00 0.00 179.97 179.44 1ba5 h SER 16 N -0.42 0.63 0.08 -3.80 0.87 -0.81 -2.67 113.55 107.43 1ba5 h SER 16 Ca 0.05 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ba5 h SER 16 Cb 0.49 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1ba5 h SER 16 CO -0.21 0.61 -0.04 1.23 -0.53 0.00 0.00 176.83 177.88 1ba5 h GLY 17 N 0.86 -0.12 0.18 5.77 0.00 -0.39 -3.34 103.07 106.03 1ba5 h GLY 17 Ca 0.16 0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.68 1ba5 h GLY 17 CO -0.01 -0.04 0.40 -2.08 0.00 0.00 0.00 176.54 174.81 1ba5 h VAL 18 N -0.83 0.69 -0.08 4.60 2.07 -0.78 0.20 116.25 122.13 1ba5 h VAL 18 Ca -0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ba5 h VAL 18 Cb 0.09 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1ba5 h VAL 18 CO 0.02 0.10 0.05 0.08 0.02 0.00 0.00 177.57 177.84 1ba5 h ARG 19 N 0.56 0.07 0.00 1.57 -0.00 -1.64 -0.60 114.38 114.34 1ba5 h ARG 19 Ca 0.46 -0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 60.15 1ba5 h ARG 19 Cb 0.67 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.97 30.57 1ba5 h ARG 19 CO -0.38 0.05 -2.22 0.36 -0.00 0.00 0.00 179.97 177.77 1ba5 n LYS 20 N -4.53 0.88 -0.07 0.08 2.85 -0.55 -4.67 118.16 112.15 1ba5 n LYS 20 Ca -0.02 -0.04 -0.07 0.00 -1.05 0.00 0.00 58.31 57.13 1ba5 n LYS 20 Cb 0.11 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.96 1ba5 n LYS 20 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1ba5 h TYR 21 N 0.00 0.00 0.00 5.58 0.05 -0.89 -3.51 116.97 118.20 1ba5 h TYR 21 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1ba5 h TYR 21 Cb 1.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.68 1ba5 h TYR 21 CO 0.00 0.42 0.00 0.41 -1.05 0.00 0.00 178.16 177.94 1ba5 n GLY 22 N 1.65 3.96 2.29 3.88 0.00 -0.24 -4.99 105.19 111.73 1ba5 n GLY 22 Ca -0.09 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1ba5 n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ba5 n GLU 23 N -1.32 3.09 0.00 1.61 1.02 -1.26 -3.63 120.64 120.15 1ba5 n GLU 23 Ca 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 1ba5 n GLU 23 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 1ba5 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ba5 n GLY 24 N 2.32 0.00 2.67 0.62 0.00 -1.26 -5.05 105.19 104.48 1ba5 n GLY 24 Ca 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.52 1ba5 n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba5 n ASN 25 N 0.00 -0.53 0.25 1.61 4.05 -1.24 -4.97 115.26 114.43 1ba5 n ASN 25 Ca 0.00 -2.65 0.08 0.00 0.45 0.00 0.00 54.58 52.46 1ba5 n ASN 25 Cb 0.00 0.41 0.61 0.00 1.23 0.00 0.00 39.78 42.03 1ba5 n ASN 25 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1ba5 h TRP 26 N 2.48 0.00 -0.14 1.20 4.06 -1.92 -2.52 115.95 119.10 1ba5 h TRP 26 Ca -0.18 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.78 1ba5 h TRP 26 Cb 1.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 1ba5 h TRP 26 CO 0.30 0.10 0.06 0.77 -3.56 0.00 0.00 178.44 176.11 1ba5 h SER 27 N 0.00 0.07 -0.73 -3.49 0.02 -1.93 -0.62 113.55 106.87 1ba5 h SER 27 Ca -0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ba5 h SER 27 Cb 0.19 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1ba5 h SER 27 CO 0.01 0.07 0.20 0.50 -1.14 0.00 0.00 176.83 176.47 1ba5 h LYS 28 N 0.13 1.15 0.01 3.45 3.64 -1.88 -1.38 116.57 121.70 1ba5 h LYS 28 Ca 0.06 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1ba5 h LYS 28 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1ba5 h LYS 28 CO -0.05 1.00 -0.12 0.82 -2.27 0.00 0.00 179.45 178.82 1ba5 h ILE 29 N 1.10 0.71 -0.31 2.00 1.08 -1.19 -1.54 117.51 119.36 1ba5 h ILE 29 Ca 0.23 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1ba5 h ILE 29 Cb 0.34 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1ba5 h ILE 29 CO -0.00 0.00 0.09 0.25 -0.69 0.00 0.00 178.15 177.79 1ba5 h LEU 30 N -0.21 0.40 0.30 1.44 5.85 -0.94 -0.74 115.31 121.41 1ba5 h LEU 30 Ca 0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ba5 h LEU 30 Cb 0.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ba5 h LEU 30 CO -0.11 0.40 -0.14 0.25 -0.34 0.00 0.00 178.44 178.50 1ba5 h LEU 31 N 0.44 -0.34 0.05 2.25 7.12 -0.50 -3.38 115.31 120.96 1ba5 h LEU 31 Ca 0.11 -0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 1ba5 h LEU 31 Cb 0.16 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1ba5 h LEU 31 CO -0.01 -0.11 -0.02 0.45 -0.13 0.00 0.00 178.44 178.62 1ba5 h HIS 32 N -0.56 -0.06 -3.78 1.25 3.86 -1.15 -3.46 115.15 111.26 1ba5 h HIS 32 Ca -0.04 -0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.68 1ba5 h HIS 32 Cb 0.41 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1ba5 h HIS 32 CO -0.01 -0.04 0.32 0.71 0.86 0.00 0.00 177.93 179.77 1ba5 s TYR 33 N -1.58 3.83 0.37 2.45 2.02 -0.30 -5.06 117.35 119.08 1ba5 s TYR 33 Ca -0.01 1.80 -0.08 0.00 -0.37 0.00 0.00 57.07 58.41 1ba5 s TYR 33 Cb 0.00 -2.91 -0.06 0.00 -0.40 0.00 0.00 41.96 38.59 1ba5 s TYR 33 CO 0.03 0.34 0.70 -1.59 -1.57 0.00 0.00 175.55 173.46 1ba5 s LYS 34 N -1.62 3.71 0.23 -0.62 -2.85 -1.26 -4.28 119.74 113.04 1ba5 s LYS 34 Ca 0.45 0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1ba5 s LYS 34 Cb -0.22 -2.47 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 1ba5 s LYS 34 CO 0.27 0.03 0.18 -0.06 0.10 0.00 0.00 175.35 175.87 1ba5 s PHE 35 N -2.31 1.24 -0.11 1.78 0.40 -1.26 -4.86 117.98 112.87 1ba5 s PHE 35 Ca 0.48 -1.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1ba5 s PHE 35 Cb -0.10 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 1ba5 s PHE 35 CO 0.32 -0.71 0.03 -0.97 0.70 0.00 0.00 175.22 174.59 1ba5 h ASN 36 N 2.51 0.00 -0.63 1.36 -0.73 -1.99 -3.44 115.58 112.66 1ba5 h ASN 36 Ca -0.33 -0.06 -0.31 0.00 1.87 0.00 0.00 56.30 57.46 1ba5 h ASN 36 Cb 1.25 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.60 1ba5 h ASN 36 CO 0.49 0.56 -0.70 -3.20 -0.37 0.00 0.00 177.43 174.21 1ba5 n ASN 37 N -4.75 -1.10 -4.84 1.15 5.15 -1.26 -5.13 115.26 104.47 1ba5 n ASN 37 Ca -0.01 -3.24 -0.22 0.00 -0.60 0.00 0.00 54.58 50.50 1ba5 n ASN 37 Cb 0.05 0.90 -0.04 0.00 -0.53 0.00 0.00 39.78 40.16 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 -0.76 2.95 0.15 1.20 3.00 -1.26 -5.01 118.95 119.22 1ba5 s ARG 38 Ca 0.27 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 54.95 1ba5 s ARG 38 Cb 0.34 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.70 1ba5 s ARG 38 CO -0.06 0.37 0.00 2.41 0.00 0.00 0.00 175.30 178.02 1ba5 n THR 39 N -1.22 0.00 0.10 0.02 -1.04 -1.26 -5.03 114.28 105.85 1ba5 n THR 39 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1ba5 n THR 39 Cb 0.58 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1ba5 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ba5 n SER 40 N -2.97 -1.84 -0.20 8.00 7.64 -1.26 -4.65 113.62 118.34 1ba5 n SER 40 Ca 0.00 0.44 -0.06 0.00 1.01 0.00 0.00 58.87 60.26 1ba5 n SER 40 Cb 0.00 1.95 0.04 0.00 -1.01 0.00 0.00 64.21 65.19 1ba5 n SER 40 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ba5 h VAL 41 N 0.00 1.13 -0.16 0.44 2.07 -1.99 -0.54 116.25 117.20 1ba5 h VAL 41 Ca 0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ba5 h VAL 41 Cb 0.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1ba5 h VAL 41 CO 0.00 0.14 0.10 0.24 0.02 0.00 0.00 177.57 178.07 1ba5 h MET 42 N 0.76 0.21 -0.04 1.57 2.07 -1.94 0.56 114.93 118.12 1ba5 h MET 42 Ca 0.22 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1ba5 h MET 42 Cb -0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1ba5 h MET 42 CO -0.06 0.18 0.00 -0.07 1.07 0.00 0.00 176.91 178.03 1ba5 h LEU 43 N 0.19 -0.01 0.22 1.22 3.38 -1.85 -0.99 115.31 117.47 1ba5 h LEU 43 Ca 0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ba5 h LEU 43 Cb 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ba5 h LEU 43 CO -0.01 0.00 -0.25 0.50 0.09 0.00 0.00 178.44 178.77 1ba5 h LYS 44 N 0.02 -0.49 0.26 1.13 3.64 -0.94 -1.11 116.57 119.08 1ba5 h LYS 44 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ba5 h LYS 44 Cb 0.01 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1ba5 h LYS 44 CO -0.02 -0.33 -0.42 0.22 -2.27 0.00 0.00 179.45 176.63 1ba5 h ASP 45 N -0.51 -1.20 -1.00 4.20 3.58 -0.74 -1.68 116.42 119.07 1ba5 h ASP 45 Ca 0.00 0.11 0.11 0.00 0.42 0.00 0.00 57.03 57.67 1ba5 h ASP 45 Cb 0.49 0.42 -0.08 0.00 1.72 0.00 0.00 39.33 41.88 1ba5 h ASP 45 CO -0.08 -0.50 0.63 0.03 -2.88 0.00 0.00 179.24 176.45 1ba5 h ARG 46 N -0.72 1.01 -0.07 0.28 2.47 -1.16 -0.30 114.38 115.89 1ba5 h ARG 46 Ca -0.03 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ba5 h ARG 46 Cb 0.66 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1ba5 h ARG 46 CO -0.13 0.67 0.04 2.35 0.56 0.00 0.00 179.97 183.45 1ba5 h TRP 47 N 1.04 0.09 -0.83 3.04 -0.00 -0.90 0.13 115.95 118.51 1ba5 h TRP 47 Ca 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.37 1ba5 h TRP 47 Cb 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 29.49 1ba5 h TRP 47 CO -0.00 0.11 0.54 0.00 -0.00 0.00 0.00 178.44 179.08 1ba5 h ARG 48 N 0.05 1.11 -0.40 2.65 3.08 -0.49 0.44 114.38 120.82 1ba5 h ARG 48 Ca 0.02 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1ba5 h ARG 48 Cb 0.05 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 1ba5 h ARG 48 CO -0.00 0.75 0.22 1.15 -1.07 0.00 0.00 179.97 181.01 1ba5 h THR 49 N 1.13 1.02 -0.44 2.04 2.02 -0.71 -1.37 112.91 116.61 1ba5 h THR 49 Ca 0.30 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1ba5 h THR 49 Cb -0.11 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1ba5 h THR 49 CO -0.06 0.08 0.21 -0.03 0.37 0.00 0.00 175.52 176.09 1ba5 h MET 50 N 0.45 0.63 -0.20 6.66 1.85 -0.32 -0.47 114.93 123.53 1ba5 h MET 50 Ca 0.16 -0.09 0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1ba5 h MET 50 Cb 0.03 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.91 1ba5 h MET 50 CO -0.09 0.54 -0.02 0.87 -0.40 0.00 0.00 176.91 177.81 1ba5 h LYS 51 N 0.57 0.04 0.00 0.39 1.79 -0.51 -1.21 116.57 117.63 1ba5 h LYS 51 Ca 0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1ba5 h LYS 51 Cb 0.12 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1ba5 h LYS 51 CO -0.02 0.02 0.00 0.36 -1.08 0.00 0.00 179.45 178.74 1ba5 n LYS 52 N -5.16 0.17 -0.60 3.15 2.85 -0.55 -5.10 118.16 112.91 1ba5 n LYS 52 Ca -0.02 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1ba5 n LYS 52 Cb 0.11 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 1ba5 n LYS 52 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24