#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccx s LYS 2 N 0.00 0.45 0.15 1.96 1.02 -1.26 -3.33 119.74 118.72 2ccx s LYS 2 Ca 0.00 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.19 2ccx s LYS 2 Cb 0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2ccx s LYS 2 CO 0.00 -0.05 -0.08 0.00 -0.92 0.00 0.00 175.35 174.30 2ccx n ASN 4 N -0.19 0.90 -3.02 0.00 3.02 -1.26 -0.63 115.26 114.08 2ccx n ASN 4 Ca -0.10 -1.77 -0.13 0.00 -0.03 0.00 0.00 54.58 52.55 2ccx n ASN 4 Cb 0.61 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2ccx n ASN 4 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ccx n GLN 5 N -2.29 1.34 0.13 3.52 -0.00 -1.26 -4.55 117.38 114.27 2ccx n GLN 5 Ca 0.11 -1.57 -0.14 0.00 -0.00 0.00 0.00 57.00 55.41 2ccx n GLN 5 Cb 0.40 0.50 -0.07 0.00 -0.00 0.00 0.00 30.24 31.08 2ccx n GLN 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2ccx h LEU 6 N 0.00 -1.00 0.00 2.61 3.38 -1.87 -3.47 115.31 114.97 2ccx h LEU 6 Ca -0.17 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ccx h LEU 6 Cb 0.54 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2ccx h LEU 6 CO 0.28 -0.44 0.00 -0.38 0.09 0.00 0.00 178.44 177.99 2ccx n ILE 7 N -5.44 0.00 -2.09 1.22 5.41 -1.26 -5.08 119.36 112.12 2ccx n ILE 7 Ca -0.07 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.26 2ccx n ILE 7 Cb 0.35 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.25 2ccx n ILE 7 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ccx s PRO 8 N -1.86 3.14 -1.27 0.38 0.04 -1.26 -4.82 135.00 129.35 2ccx s PRO 8 Ca 0.00 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.88 2ccx s PRO 8 Cb 0.00 -4.23 0.03 0.00 0.04 0.00 0.00 34.50 30.34 2ccx s PRO 8 CO 0.00 -2.10 1.84 -0.35 0.04 0.00 0.00 177.00 176.43 2ccx n PRO 9 N 8.63 2.77 -3.86 0.56 -0.04 -1.26 -4.68 135.00 137.12 2ccx n PRO 9 Ca 0.20 -2.99 -0.29 0.00 -0.04 0.00 0.00 63.50 60.38 2ccx n PRO 9 Cb 0.49 -3.51 -0.13 0.00 -0.04 0.00 0.00 33.50 30.31 2ccx n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ccx s PHE 10 N 5.58 2.93 0.18 0.54 -0.12 -1.26 -5.09 117.98 120.73 2ccx s PHE 10 Ca 0.56 -3.02 -0.30 0.00 -0.05 0.00 0.00 56.93 54.12 2ccx s PHE 10 Cb 0.04 -2.50 -0.08 0.00 -0.63 0.00 0.00 43.02 39.85 2ccx s PHE 10 CO 0.08 -0.70 1.24 1.67 -0.05 0.00 0.00 175.22 177.46 2ccx s TRP 11 N -0.45 3.36 0.09 3.49 1.48 -1.26 -4.31 118.94 121.35 2ccx s TRP 11 Ca 0.20 1.33 0.10 0.00 -1.06 0.00 0.00 56.10 56.67 2ccx s TRP 11 Cb -0.19 -3.50 -0.03 0.00 -1.16 0.00 0.00 33.47 28.59 2ccx s TRP 11 CO -0.05 -1.47 -0.26 -1.59 -4.06 0.00 0.00 176.95 169.51 2ccx s LYS 12 N -0.07 1.55 -0.13 3.25 0.00 0.20 -4.99 119.74 119.55 2ccx s LYS 12 Ca 0.55 -1.23 -0.17 0.00 0.00 0.00 0.00 55.97 55.13 2ccx s LYS 12 Cb -0.34 -1.89 -0.04 0.00 0.00 0.00 0.00 37.83 35.56 2ccx s LYS 12 CO 0.36 0.47 0.41 0.99 0.00 0.00 0.00 175.35 177.58 2ccx s THR 13 N -0.95 5.23 0.42 3.79 2.01 -1.26 -0.86 115.64 124.01 2ccx s THR 13 Ca 0.12 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 2ccx s THR 13 Cb -0.10 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2ccx s THR 13 CO 0.04 0.35 1.21 0.00 -0.69 0.00 0.00 174.62 175.53 2ccx s PRO 15 N -2.38 3.98 0.30 0.00 0.04 -1.26 -4.93 135.00 130.75 2ccx s PRO 15 Ca 0.59 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2ccx s PRO 15 Cb -0.32 -2.43 -0.12 0.00 0.04 0.00 0.00 34.50 31.66 2ccx s PRO 15 CO 0.41 -0.32 1.43 1.17 0.04 0.00 0.00 177.00 179.72 2ccx n LYS 16 N -0.34 2.31 0.00 4.56 3.00 -1.26 -1.02 118.16 125.41 2ccx n LYS 16 Ca 0.06 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 2ccx n LYS 16 Cb 0.49 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 33.04 2ccx n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ccx n GLY 17 N 1.52 2.95 3.60 3.14 0.00 -1.26 -5.01 105.19 110.13 2ccx n GLY 17 Ca 0.07 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2ccx n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ccx s LYS 18 N 0.00 3.87 -0.30 1.61 1.02 -0.19 -4.45 119.74 121.30 2ccx s LYS 18 Ca 0.00 0.45 0.19 0.00 0.02 0.00 0.00 55.97 56.63 2ccx s LYS 18 Cb 0.00 -3.76 0.47 0.00 -0.52 0.00 0.00 37.83 34.02 2ccx s LYS 18 CO 0.00 -0.74 1.13 0.09 -0.92 0.00 0.00 175.35 174.91 2ccx n ASN 19 N 6.26 0.83 -4.82 2.83 3.02 -0.54 -4.23 115.26 118.61 2ccx n ASN 19 Ca 0.03 -2.33 -0.22 0.00 -0.03 0.00 0.00 54.58 52.03 2ccx n ASN 19 Cb 0.48 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ccx s LEU 20 N -3.55 3.38 -0.23 3.41 1.43 -0.04 -4.87 118.68 118.21 2ccx s LEU 20 Ca 0.24 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2ccx s LEU 20 Cb 0.39 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2ccx s LEU 20 CO -0.03 -0.49 -0.08 0.00 0.23 0.00 0.00 176.35 175.98 2ccx s TYR 22 N 1.34 3.09 -0.15 0.00 -0.85 -0.30 -2.32 117.35 118.17 2ccx s TYR 22 Ca 0.02 -0.23 -0.06 0.00 -0.52 0.00 0.00 57.07 56.28 2ccx s TYR 22 Cb -0.16 -2.02 0.07 0.00 0.38 0.00 0.00 41.96 40.23 2ccx s TYR 22 CO -0.06 -0.04 0.31 -1.59 -1.52 0.00 0.00 175.55 172.66 2ccx s LYS 23 N -4.19 0.23 -1.00 -3.49 -2.85 -1.26 -2.59 119.74 104.59 2ccx s LYS 23 Ca 0.46 0.78 -0.16 0.00 -1.00 0.00 0.00 55.97 56.04 2ccx s LYS 23 Cb -0.10 0.04 0.16 0.00 -2.06 0.00 0.00 37.83 35.87 2ccx s LYS 23 CO 0.31 -0.24 1.17 1.41 0.10 0.00 0.00 175.35 178.11 2ccx s MET 24 N 2.12 3.76 0.73 1.78 1.75 -1.26 -3.51 119.30 124.67 2ccx s MET 24 Ca -0.03 -2.13 -0.02 0.00 -1.25 0.00 0.00 55.69 52.26 2ccx s MET 24 Cb -0.11 -4.89 0.13 0.00 2.84 0.00 0.00 34.83 32.79 2ccx s MET 24 CO -0.10 -1.70 1.01 0.95 -0.65 0.00 0.00 175.02 174.53 2ccx s THR 25 N 1.93 2.16 0.20 10.11 -4.23 0.11 -3.90 115.64 122.02 2ccx s THR 25 Ca 0.34 -0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 2ccx s THR 25 Cb -0.05 -2.61 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 2ccx s THR 25 CO -0.07 0.00 0.48 -0.04 -0.54 0.00 0.00 174.62 174.46 2ccx s MET 26 N -5.18 3.73 0.13 3.99 -1.94 -1.26 -0.28 119.30 118.48 2ccx s MET 26 Ca 0.66 0.13 -0.08 0.00 -1.71 0.00 0.00 55.69 54.69 2ccx s MET 26 Cb -0.06 -2.72 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 2ccx s MET 26 CO 0.45 0.37 1.33 -0.09 -0.01 0.00 0.00 175.02 177.07 2ccx h ARG 27 N 2.61 0.63 0.00 2.03 1.12 -1.13 -2.57 114.38 117.07 2ccx h ARG 27 Ca -0.47 -0.54 -0.10 0.00 -1.11 0.00 0.00 59.98 57.77 2ccx h ARG 27 Cb 1.17 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 2ccx h ARG 27 CO 0.70 1.16 -0.45 0.00 -3.11 0.00 0.00 179.97 178.27 2ccx h ALA 28 N 0.68 1.06 0.00 2.80 0.00 -1.85 -3.41 119.26 118.54 2ccx h ALA 28 Ca -0.06 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2ccx h ALA 28 Cb 1.42 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 2ccx h ALA 28 CO 0.15 0.57 -0.37 0.00 0.00 0.00 0.00 179.25 179.60 2ccx n ALA 29 N -2.37 -1.82 -0.86 0.00 0.00 -1.25 -5.04 120.51 109.18 2ccx n ALA 29 Ca -0.01 -1.16 -0.27 0.00 0.00 0.00 0.00 53.44 52.01 2ccx n ALA 29 Cb 0.52 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2ccx n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ccx n PRO 30 N 1.40 2.14 -0.07 0.00 -0.04 -0.97 -4.23 135.00 133.23 2ccx n PRO 30 Ca 0.07 -1.59 -0.22 0.00 -0.04 0.00 0.00 63.50 61.71 2ccx n PRO 30 Cb 0.66 -2.56 -0.12 0.00 -0.04 0.00 0.00 33.50 31.44 2ccx n PRO 30 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ccx n MET 31 N 4.59 0.66 -3.80 0.54 1.56 -1.26 -4.90 117.12 114.50 2ccx n MET 31 Ca 0.48 0.32 -0.37 0.00 -0.27 0.00 0.00 57.70 57.86 2ccx n MET 31 Cb 0.18 -1.65 -0.13 0.00 2.15 0.00 0.00 33.22 33.77 2ccx n MET 31 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2ccx s VAL 32 N -2.49 3.65 -0.73 1.12 1.01 -1.26 -5.04 120.40 116.66 2ccx s VAL 32 Ca -0.29 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 2ccx s VAL 32 Cb 0.08 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2ccx s VAL 32 CO 0.64 -0.00 1.87 -2.16 0.00 0.00 0.00 175.10 175.45 2ccx s PRO 33 N 1.42 2.63 0.00 2.72 0.04 -1.26 -4.65 135.00 135.91 2ccx s PRO 33 Ca 0.00 0.22 0.20 0.00 0.04 0.00 0.00 61.00 61.46 2ccx s PRO 33 Cb -0.18 -4.65 0.54 0.00 0.04 0.00 0.00 34.50 30.24 2ccx s PRO 33 CO 0.01 -2.95 1.44 1.55 0.04 0.00 0.00 177.00 177.10 2ccx n VAL 34 N 7.43 0.50 0.05 -0.36 3.14 -1.25 -4.37 118.33 123.46 2ccx n VAL 34 Ca 0.27 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2ccx n VAL 34 Cb 0.50 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 33.85 2ccx n VAL 34 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2ccx n LYS 35 N 1.00 0.00 -2.80 1.45 4.01 -1.26 -4.99 118.16 115.57 2ccx n LYS 35 Ca 0.18 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.97 2ccx n LYS 35 Cb 0.47 -0.14 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 2ccx n LYS 35 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ccx n ARG 36 N -3.00 -3.00 -4.07 1.97 1.74 -1.26 -4.61 116.66 104.44 2ccx n ARG 36 Ca 0.00 2.48 -0.14 0.00 -0.77 0.00 0.00 57.85 59.42 2ccx n ARG 36 Cb 0.00 -4.75 -0.04 0.00 -1.02 0.00 0.00 32.46 26.66 2ccx n ARG 36 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ccx s GLY 37 N -1.58 1.40 0.11 -0.13 0.00 -1.07 -4.63 107.32 101.41 2ccx s GLY 37 Ca 0.01 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.31 2ccx s GLY 37 CO 0.67 -0.94 0.15 0.00 0.00 0.00 0.00 173.10 172.99 2ccx s ILE 39 N -1.56 0.01 -0.04 0.00 2.07 -1.19 -4.91 121.20 115.58 2ccx s ILE 39 Ca 0.32 -1.50 -0.09 0.00 -1.41 0.00 0.00 60.65 57.97 2ccx s ILE 39 Cb -0.12 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.24 2ccx s ILE 39 CO 0.25 -0.05 0.47 -0.78 -1.91 0.00 0.00 174.94 172.92 2ccx h ASP 40 N 2.36 -0.29 -3.20 4.50 1.82 -1.90 0.23 116.42 119.94 2ccx h ASP 40 Ca -0.29 0.01 -0.47 0.00 -0.39 0.00 0.00 57.03 55.89 2ccx h ASP 40 Cb 1.25 0.07 -0.15 0.00 0.68 0.00 0.00 39.33 41.18 2ccx h ASP 40 CO 0.41 0.05 -0.74 0.54 -1.61 0.00 0.00 179.24 177.88 2ccx s VAL 41 N -2.68 1.79 -0.39 2.25 0.11 -1.26 -4.47 120.40 115.75 2ccx s VAL 41 Ca -0.05 -2.18 -0.40 0.00 -2.93 0.00 0.00 61.98 56.42 2ccx s VAL 41 Cb 0.00 -2.02 -0.15 0.00 -1.53 0.00 0.00 36.38 32.68 2ccx s VAL 41 CO 0.15 -0.54 2.03 0.00 -3.33 0.00 0.00 175.10 173.40 2ccx s PRO 43 N 5.29 2.38 -0.15 0.00 0.04 -1.26 -5.00 135.00 136.31 2ccx s PRO 43 Ca 1.10 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2ccx s PRO 43 Cb -1.15 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2ccx s PRO 43 CO 0.61 -1.55 0.00 0.15 0.04 0.00 0.00 177.00 176.24 2ccx s LYS 44 N -4.69 3.63 -0.07 4.56 3.01 -1.26 -4.82 119.74 120.11 2ccx s LYS 44 Ca 0.63 -0.44 -0.30 0.00 -1.01 0.00 0.00 55.97 54.85 2ccx s LYS 44 Cb -0.18 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.63 2ccx s LYS 44 CO 0.52 0.34 1.14 -1.12 0.51 0.00 0.00 175.35 176.74 2ccx s SER 45 N 0.11 7.12 0.56 2.83 0.01 -1.26 -4.81 113.70 118.27 2ccx s SER 45 Ca 0.01 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 58.99 2ccx s SER 45 Cb -0.13 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.59 2ccx s SER 45 CO 0.02 -0.53 0.36 -1.54 0.41 0.00 0.00 173.24 171.95 2ccx n SER 46 N 5.09 0.41 0.03 2.44 3.41 0.61 -4.97 113.62 120.64 2ccx n SER 46 Ca 0.10 -1.36 -0.20 0.00 -0.26 0.00 0.00 58.87 57.15 2ccx n SER 46 Cb 0.47 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 2ccx n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ccx h LEU 47 N 0.00 0.87 0.11 1.04 7.12 -2.03 -3.34 115.31 119.08 2ccx h LEU 47 Ca -0.12 -0.73 -0.36 0.00 0.13 0.00 0.00 57.88 56.80 2ccx h LEU 47 Cb 0.42 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 2ccx h LEU 47 CO 0.12 1.48 -2.00 0.00 -0.13 0.00 0.00 178.44 177.91 2ccx n LEU 48 N -3.92 2.52 -4.07 2.25 -0.00 -1.26 -4.55 117.00 107.98 2ccx n LEU 48 Ca -0.11 0.21 -0.30 0.00 -0.00 0.00 0.00 56.01 55.81 2ccx n LEU 48 Cb 0.84 -1.01 -0.17 0.00 -0.00 0.00 0.00 43.42 43.08 2ccx n LEU 48 CO 0.54 0.83 -0.50 -0.63 -0.00 0.00 0.00 177.39 177.63 2ccx s ILE 49 N -2.56 1.66 0.06 1.47 -1.09 -1.25 -0.67 121.20 118.82 2ccx s ILE 49 Ca -0.22 -0.72 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 2ccx s ILE 49 Cb 0.07 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.41 2ccx s ILE 49 CO 0.77 0.47 -0.16 -0.75 -1.23 0.00 0.00 174.94 174.04 2ccx s LYS 50 N 1.12 0.93 0.35 2.79 2.20 0.61 -0.29 119.74 127.45 2ccx s LYS 50 Ca -0.03 -0.93 0.07 0.00 -0.36 0.00 0.00 55.97 54.73 2ccx s LYS 50 Cb -0.14 -0.98 -0.02 0.00 -1.51 0.00 0.00 37.83 35.17 2ccx s LYS 50 CO -0.05 0.23 0.32 0.71 -0.36 0.00 0.00 175.35 176.20 2ccx s TYR 51 N -1.10 2.88 -0.17 4.03 1.51 -1.26 0.07 117.35 123.31 2ccx s TYR 51 Ca 0.01 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2ccx s TYR 51 Cb -0.09 -1.88 0.07 0.00 -0.11 0.00 0.00 41.96 39.95 2ccx s TYR 51 CO 0.02 0.11 0.13 1.41 -1.11 0.00 0.00 175.55 176.12 2ccx s MET 52 N -4.03 0.09 0.47 -0.62 1.75 -1.23 -4.93 119.30 110.80 2ccx s MET 52 Ca 0.43 0.06 -0.12 0.00 -1.25 0.00 0.00 55.69 54.80 2ccx s MET 52 Cb -0.06 -1.50 -0.06 0.00 2.84 0.00 0.00 34.83 36.05 2ccx s MET 52 CO 0.27 -0.63 0.87 0.00 -0.65 0.00 0.00 175.02 174.88 2ccx s ASN 55 N -3.12 -0.03 -0.05 0.00 4.22 -1.26 -1.83 114.94 112.86 2ccx s ASN 55 Ca 0.22 -1.89 -0.26 0.00 -2.14 0.00 0.00 52.86 48.79 2ccx s ASN 55 Cb -0.03 0.97 0.06 0.00 1.28 0.00 0.00 41.25 43.53 2ccx s ASN 55 CO 0.14 -0.15 0.57 0.42 -2.04 0.00 0.00 177.10 176.04 2ccx s THR 56 N 0.96 0.02 -0.01 0.54 -4.23 -1.26 -5.03 115.64 106.62 2ccx s THR 56 Ca 0.25 -0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 2ccx s THR 56 Cb -0.04 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 72.83 2ccx s THR 56 CO -0.08 -0.08 2.01 0.59 -0.54 0.00 0.00 174.62 176.52 2ccx n ASN 57 N 1.14 3.97 -3.28 3.99 3.02 -1.26 -2.21 115.26 120.62 2ccx n ASN 57 Ca -0.19 0.81 -0.23 0.00 -0.03 0.00 0.00 54.58 54.93 2ccx n ASN 57 Cb 0.57 -1.52 0.06 0.00 -0.61 0.00 0.00 39.78 38.28 2ccx n ASN 57 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ccx n LYS 58 N 7.64 -6.34 0.14 3.52 5.02 0.34 -4.91 118.16 123.58 2ccx n LYS 58 Ca 0.22 0.88 -0.14 0.00 -2.02 0.00 0.00 58.31 57.25 2ccx n LYS 58 Cb 0.40 -5.84 -0.07 0.00 -0.02 0.00 0.00 35.03 29.50 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88