#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmj s GLU 25 N 0.00 3.21 -0.04 3.69 2.02 -1.26 -4.90 118.70 121.43 2jmj s GLU 25 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2jmj s GLU 25 Cb 0.00 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.40 2jmj s GLU 25 CO 0.00 -0.59 -0.05 -1.21 0.02 0.00 0.00 175.26 173.43 2jmj s GLU 26 N 1.68 0.84 0.61 1.61 0.41 -1.26 -5.01 118.70 117.58 2jmj s GLU 26 Ca 0.05 -0.12 -0.16 0.00 -0.41 0.00 0.00 54.97 54.34 2jmj s GLU 26 Cb -0.18 -0.83 -0.03 0.00 -1.78 0.00 0.00 34.13 31.31 2jmj s GLU 26 CO 0.10 -0.07 1.08 0.08 -0.49 0.00 0.00 175.26 175.96 2jmj s VAL 27 N 0.86 3.59 0.00 2.63 1.01 -1.26 -2.12 120.40 125.11 2jmj s VAL 27 Ca -0.12 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2jmj s VAL 27 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2jmj s VAL 27 CO 0.00 -0.44 0.00 -1.22 0.00 0.00 0.00 175.10 173.45 2jmj n TYR 28 N -2.12 0.00 -1.58 5.22 4.01 -1.00 -4.90 117.16 116.79 2jmj n TYR 28 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 2jmj n TYR 28 Cb 0.52 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.60 2jmj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jmj n PHE 30 N -1.56 0.31 0.11 0.00 -1.74 -1.26 0.37 117.46 113.69 2jmj n PHE 30 Ca 0.13 0.16 0.08 0.00 -0.56 0.00 0.00 57.45 57.25 2jmj n PHE 30 Cb 0.46 -0.48 0.41 0.00 1.52 0.00 0.00 39.48 41.39 2jmj n PHE 30 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jmj n ARG 32 N -2.02 -3.59 -4.31 0.00 1.74 0.16 -5.02 116.66 103.61 2jmj n ARG 32 Ca -0.01 0.71 -0.17 0.00 -0.77 0.00 0.00 57.85 57.62 2jmj n ARG 32 Cb 0.03 -5.14 -0.10 0.00 -1.02 0.00 0.00 32.46 26.22 2jmj n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jmj s ASN 33 N -2.73 2.09 0.77 0.55 6.03 -1.26 -4.93 114.94 115.46 2jmj s ASN 33 Ca 0.21 -1.09 -0.11 0.00 -1.03 0.00 0.00 52.86 50.85 2jmj s ASN 33 Cb -0.09 -0.05 0.05 0.00 -3.03 0.00 0.00 41.25 38.13 2jmj s ASN 33 CO 0.27 -0.35 1.09 -0.69 -2.03 0.00 0.00 177.10 175.39 2jmj s VAL 34 N -3.24 3.37 -0.68 3.54 1.01 -1.26 -2.39 120.40 120.76 2jmj s VAL 34 Ca 0.23 0.45 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 2jmj s VAL 34 Cb 0.03 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2jmj s VAL 34 CO 0.06 -0.58 2.00 -0.55 0.00 0.00 0.00 175.10 176.02 2jmj s SER 35 N -3.43 5.02 0.19 3.32 0.15 -0.90 -4.82 113.70 113.22 2jmj s SER 35 Ca 0.61 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 57.32 2jmj s SER 35 Cb -0.17 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.75 2jmj s SER 35 CO 0.56 -2.65 1.82 1.88 1.20 0.00 0.00 173.24 176.05 2jmj h TYR 36 N 14.61 0.64 0.00 3.44 0.05 -1.93 -3.47 116.97 130.31 2jmj h TYR 36 Ca -0.15 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2jmj h TYR 36 Cb 1.13 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.67 2jmj h TYR 36 CO 1.08 0.35 0.00 0.41 -1.05 0.00 0.00 178.16 178.95 2jmj n GLY 37 N -1.26 -0.78 3.57 3.88 0.00 -1.26 -5.10 105.19 104.23 2jmj n GLY 37 Ca 0.05 0.40 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 2jmj n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jmj s PRO 38 N 0.00 3.10 0.31 1.61 0.02 -1.26 -4.96 135.00 133.82 2jmj s PRO 38 Ca 0.00 0.49 0.05 0.00 0.02 0.00 0.00 61.00 61.55 2jmj s PRO 38 Cb 0.00 -4.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.28 2jmj s PRO 38 CO 0.00 -2.19 0.29 -1.64 -0.33 0.00 0.00 177.00 173.13 2jmj s MET 39 N 5.99 1.70 0.04 5.54 -1.94 -1.26 0.48 119.30 129.85 2jmj s MET 39 Ca 0.56 -1.92 -0.23 0.00 -1.71 0.00 0.00 55.69 52.39 2jmj s MET 39 Cb -0.12 0.34 0.05 0.00 2.01 0.00 0.00 34.83 37.11 2jmj s MET 39 CO 0.23 -0.63 0.54 0.54 -0.01 0.00 0.00 175.02 175.69 2jmj s VAL 40 N -3.49 0.02 -0.16 -6.03 0.11 0.26 -4.88 120.40 106.23 2jmj s VAL 40 Ca 0.39 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2jmj s VAL 40 Cb 0.03 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2jmj s VAL 40 CO 0.24 -0.11 0.06 0.00 -3.33 0.00 0.00 175.10 171.96 2jmj s ALA 41 N -2.32 3.42 -0.54 1.54 0.00 -1.26 0.76 121.76 123.37 2jmj s ALA 41 Ca -0.06 -0.74 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 2jmj s ALA 41 Cb -0.01 -1.85 -0.13 0.00 0.00 0.00 0.00 23.12 21.13 2jmj s ALA 41 CO -0.01 0.28 2.36 0.00 0.00 0.00 0.00 175.76 178.39 2jmj n ASP 43 N 11.32 6.33 -4.30 0.00 2.03 -1.25 -4.84 116.55 125.84 2jmj n ASP 43 Ca 0.47 -2.98 -0.32 0.00 0.52 0.00 0.00 54.79 52.47 2jmj n ASP 43 Cb 0.24 -1.07 -0.16 0.00 -0.72 0.00 0.00 41.12 39.41 2jmj n ASP 43 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jmj s ASN 44 N 0.42 3.46 0.57 1.67 2.47 -1.26 -5.00 114.94 117.27 2jmj s ASN 44 Ca 0.27 -0.45 0.42 0.00 0.42 0.00 0.00 52.86 53.52 2jmj s ASN 44 Cb 0.21 -1.32 1.52 0.00 -1.45 0.00 0.00 41.25 40.20 2jmj s ASN 44 CO -0.01 0.19 1.57 -0.65 -3.72 0.00 0.00 177.10 174.49 2jmj h PRO 45 N 6.48 0.00 0.00 0.43 0.11 -1.90 -3.29 132.00 133.83 2jmj h PRO 45 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jmj h PRO 45 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jmj h PRO 45 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 2jmj n ALA 46 N -2.72 0.03 -2.78 -0.75 0.00 -1.26 -5.08 120.51 107.95 2jmj n ALA 46 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 2jmj n ALA 46 Cb 1.71 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 21.13 2jmj n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmj h PRO 48 N 4.43 0.07 0.00 0.00 0.13 -1.97 -3.42 132.00 131.24 2jmj h PRO 48 Ca -0.35 -0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.24 2jmj h PRO 48 Cb 0.81 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.81 2jmj h PRO 48 CO 0.01 0.05 -0.43 1.19 -0.23 0.00 0.00 178.00 178.58 2jmj n PHE 49 N -4.27 0.32 -2.66 1.56 3.72 -1.26 -5.08 117.46 109.78 2jmj n PHE 49 Ca 0.29 -2.41 0.02 0.00 -0.05 0.00 0.00 57.45 55.31 2jmj n PHE 49 Cb 1.32 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 39.83 2jmj n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jmj n GLU 50 N -0.92 0.83 -3.56 -1.08 1.02 -1.26 -4.19 120.64 111.49 2jmj n GLU 50 Ca -0.08 -2.72 -0.00 0.00 -0.02 0.00 0.00 57.16 54.34 2jmj n GLU 50 Cb 0.57 -0.77 -0.04 0.00 -0.02 0.00 0.00 31.44 31.19 2jmj n GLU 50 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jmj s TRP 51 N -1.82 -1.08 -0.03 -0.32 0.23 -1.24 -3.83 118.94 110.85 2jmj s TRP 51 Ca 0.31 1.88 -0.09 0.00 -2.03 0.00 0.00 56.10 56.17 2jmj s TRP 51 Cb 0.36 0.65 0.01 0.00 0.03 0.00 0.00 33.47 34.52 2jmj s TRP 51 CO -0.11 -0.54 0.20 -0.06 0.96 0.00 0.00 176.95 177.41 2jmj s PHE 52 N 2.68 -0.11 0.62 -1.98 0.40 0.23 -1.20 117.98 118.63 2jmj s PHE 52 Ca -0.05 0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.44 2jmj s PHE 52 Cb -0.09 0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.48 2jmj s PHE 52 CO -0.18 -0.24 0.94 -1.01 0.70 0.00 0.00 175.22 175.43 2jmj s HIS 53 N -0.78 3.19 -0.79 0.36 3.76 -1.26 0.89 115.29 120.66 2jmj s HIS 53 Ca -0.09 0.63 0.26 0.00 -0.15 0.00 0.00 55.06 55.72 2jmj s HIS 53 Cb -0.05 -2.85 0.83 0.00 1.11 0.00 0.00 32.58 31.62 2jmj s HIS 53 CO 0.02 -0.97 1.74 0.66 -0.85 0.00 0.00 174.74 175.34 2jmj n TYR 54 N -2.68 0.66 -0.01 1.40 4.01 0.18 -1.01 117.16 119.71 2jmj n TYR 54 Ca 0.05 0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 2jmj n TYR 54 Cb 0.58 -0.79 -0.13 0.00 -0.31 0.00 0.00 39.34 38.68 2jmj n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jmj h GLY 55 N 4.64 0.00 0.73 2.72 0.00 -1.92 -3.34 103.07 105.90 2jmj h GLY 55 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2jmj h GLY 55 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 2jmj n VAL 57 N -4.59 0.00 -3.36 0.00 0.24 -0.18 -4.93 118.33 105.51 2jmj n VAL 57 Ca -0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 2jmj n VAL 57 Cb 0.35 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.63 2jmj n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jmj s GLY 58 N 0.00 -0.36 0.00 7.63 0.00 -1.26 -4.85 107.32 108.49 2jmj s GLY 58 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2jmj s GLY 58 CO 0.00 2.74 0.00 1.47 0.00 0.00 0.00 173.10 177.31 2jmj n LEU 59 N 5.34 0.00 -4.48 0.66 -0.00 -1.26 -5.10 117.00 112.16 2jmj n LEU 59 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.56 2jmj n LEU 59 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 2jmj n LEU 59 CO 0.02 0.00 0.99 -0.54 -0.00 0.00 0.00 177.39 177.86 2jmj s LYS 60 N 0.00 3.34 0.26 1.47 1.02 -1.26 -4.80 119.74 119.76 2jmj s LYS 60 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2jmj s LYS 60 Cb 0.00 -4.60 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 2jmj s LYS 60 CO 0.00 -1.91 0.00 1.04 -0.92 0.00 0.00 175.35 173.56 2jmj n GLN 61 N 7.77 -2.13 -1.99 1.68 6.02 -1.26 -4.87 117.38 122.60 2jmj n GLN 61 Ca 0.11 1.60 -0.41 0.00 -0.01 0.00 0.00 57.00 58.28 2jmj n GLN 61 Cb 0.48 -1.84 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 2jmj n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jmj s ALA 62 N -3.12 3.65 0.66 -1.58 0.00 -1.26 -4.99 121.76 115.11 2jmj s ALA 62 Ca 0.00 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 2jmj s ALA 62 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2jmj s ALA 62 CO 0.00 -0.76 1.09 -1.25 0.00 0.00 0.00 175.76 174.84 2jmj s PRO 63 N -0.22 2.89 0.33 0.00 0.04 -1.26 -4.92 135.00 131.87 2jmj s PRO 63 Ca 0.61 1.28 0.10 0.00 0.04 0.00 0.00 61.00 63.03 2jmj s PRO 63 Cb -0.42 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 33.01 2jmj s PRO 63 CO 0.42 -1.16 1.77 -0.22 0.04 0.00 0.00 177.00 177.85 2jmj h LYS 64 N -0.04 0.62 0.00 4.56 3.64 -2.02 -3.35 116.57 119.98 2jmj h LYS 64 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2jmj h LYS 64 Cb 1.23 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2jmj h LYS 64 CO 0.55 0.41 0.00 0.41 -2.27 0.00 0.00 179.45 178.55 2jmj n GLY 65 N -1.36 1.09 3.40 5.01 0.00 -1.26 -5.08 105.19 106.99 2jmj n GLY 65 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 2jmj n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jmj s LYS 66 N 0.00 0.92 0.29 1.61 -2.85 -1.26 -5.17 119.74 113.29 2jmj s LYS 66 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 55.97 55.07 2jmj s LYS 66 Cb 0.00 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2jmj s LYS 66 CO 0.00 -0.29 -0.06 -0.46 0.10 0.00 0.00 175.35 174.64 2jmj s TRP 67 N -1.52 2.52 -0.19 1.78 -0.11 -1.26 -4.86 118.94 115.30 2jmj s TRP 67 Ca -0.11 -0.32 -0.05 0.00 1.22 0.00 0.00 56.10 56.84 2jmj s TRP 67 Cb -0.02 -1.22 -0.03 0.00 -1.50 0.00 0.00 33.47 30.71 2jmj s TRP 67 CO 0.05 0.61 -0.00 0.71 -4.62 0.00 0.00 176.95 173.70 2jmj s TYR 68 N -2.44 3.05 0.28 5.86 2.02 -1.26 -3.76 117.35 121.09 2jmj s TYR 68 Ca 0.32 -0.41 0.22 0.00 -0.37 0.00 0.00 57.07 56.84 2jmj s TYR 68 Cb -0.04 -2.06 0.92 0.00 -0.40 0.00 0.00 41.96 40.38 2jmj s TYR 68 CO 0.18 -0.19 0.92 0.00 -1.57 0.00 0.00 175.55 174.90 2jmj s SER 70 N -4.27 -0.25 0.64 0.00 0.01 -1.26 -4.82 113.70 103.76 2jmj s SER 70 Ca -0.04 -0.41 0.28 0.00 1.31 0.00 0.00 55.95 57.09 2jmj s SER 70 Cb 0.18 0.57 1.52 0.00 0.21 0.00 0.00 66.02 68.49 2jmj s SER 70 CO 0.50 -1.03 1.85 0.11 0.41 0.00 0.00 173.24 175.08 2jmj h LYS 71 N 2.00 0.00 0.00 12.44 1.57 -2.01 -0.62 116.57 129.95 2jmj h LYS 71 Ca -0.23 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.32 2jmj h LYS 71 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 2jmj h LYS 71 CO 0.26 0.00 -1.46 -0.25 -0.57 0.00 0.00 179.45 177.43 2jmj n ASP 72 N -2.82 1.89 -0.31 0.86 8.00 -1.26 -3.72 116.55 119.19 2jmj n ASP 72 Ca -0.02 0.43 0.28 0.00 0.71 0.00 0.00 54.79 56.19 2jmj n ASP 72 Cb 0.39 -0.89 0.50 0.00 -0.02 0.00 0.00 41.12 41.10 2jmj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jmj h LYS 74 N 0.00 0.23 0.00 0.00 2.10 -1.63 -2.84 116.57 114.43 2jmj h LYS 74 Ca 0.68 -0.36 -0.08 0.00 -2.00 0.00 0.00 60.65 58.89 2jmj h LYS 74 Cb 1.99 0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 33.44 2jmj h LYS 74 CO -0.49 1.15 -0.36 0.93 -2.00 0.00 0.00 179.45 178.68 2jmj h GLU 75 N -0.50 0.00 -0.18 0.07 5.08 0.11 -1.94 114.58 117.21 2jmj h GLU 75 Ca -0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2jmj h GLU 75 Cb 1.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2jmj h GLU 75 CO 0.11 0.36 -0.42 0.82 -1.00 0.00 0.00 179.01 178.88 2jmj h ILE 76 N 0.00 1.31 -0.22 3.13 2.04 0.22 0.15 117.51 124.14 2jmj h ILE 76 Ca -0.00 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 2jmj h ILE 76 Cb 0.66 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2jmj h ILE 76 CO 0.05 0.48 -0.11 0.00 0.00 0.00 0.00 178.15 178.57 2jmj h ALA 77 N 1.21 0.31 0.28 1.87 0.00 -1.14 -3.25 119.26 118.52 2jmj h ALA 77 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jmj h ALA 77 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jmj h ALA 77 CO 0.07 0.15 -0.13 -0.91 0.00 0.00 0.00 179.25 178.43 2jmj h ASN 78 N 0.16 -0.31 -6.99 0.00 -0.26 -1.23 -3.47 115.58 103.48 2jmj h ASN 78 Ca 0.05 -0.15 -0.60 0.00 -0.56 0.00 0.00 56.30 55.04 2jmj h ASN 78 Cb 0.60 0.08 -0.21 0.00 -1.06 0.00 0.00 38.32 37.73 2jmj h ASN 78 CO 0.03 -0.01 -0.94 1.67 -1.06 0.00 0.00 177.43 177.12 2jmj n GLN 79 N -5.14 -1.41 -0.24 0.81 7.27 0.52 -4.81 117.38 114.38 2jmj n GLN 79 Ca -0.10 0.16 -0.03 0.00 0.07 0.00 0.00 57.00 57.11 2jmj n GLN 79 Cb 0.24 -4.00 0.16 0.00 2.41 0.00 0.00 30.24 29.05 2jmj n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmj h ARG 80 N -1.63 1.05 -1.76 3.69 2.47 -1.90 -3.45 114.38 112.85 2jmj h ARG 80 Ca -0.64 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 57.96 2jmj h ARG 80 Cb 1.39 -0.20 -0.21 0.00 -1.65 0.00 0.00 29.97 29.30 2jmj h ARG 80 CO 0.73 0.80 0.40 0.45 0.56 0.00 0.00 179.97 182.91 2jmj s SER 81 N -6.39 -0.49 0.29 7.04 0.15 -1.26 -5.19 113.70 107.85 2jmj s SER 81 Ca -0.11 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.09 2jmj s SER 81 Cb 0.17 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2jmj s SER 81 CO 0.81 -0.46 0.08 -1.59 1.20 0.00 0.00 173.24 173.28 2jmj s LYS 82 N -1.17 1.52 0.00 5.44 -2.85 -1.26 -5.18 119.74 116.23 2jmj s LYS 82 Ca -0.06 -1.83 0.23 0.00 -1.00 0.00 0.00 55.97 53.32 2jmj s LYS 82 Cb -0.00 -0.52 1.40 0.00 -2.06 0.00 0.00 37.83 36.65 2jmj s LYS 82 CO 0.05 -0.25 1.77 0.43 0.10 0.00 0.00 175.35 177.44