#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 0.05 -0.02 -1.09 2.02 -1.26 -5.02 118.70 113.39 2jmj s GLU 25 Ca 0.00 0.55 -0.01 0.00 0.02 0.00 0.00 54.97 55.54 2jmj s GLU 25 Cb 0.00 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.92 2jmj s GLU 25 CO 0.00 -0.33 0.04 -2.00 0.02 0.00 0.00 175.26 172.99 2jmj s GLU 26 N 2.31 -0.00 0.39 1.61 2.12 -1.26 -5.02 118.70 118.84 2jmj s GLU 26 Ca 0.03 0.16 -0.23 0.00 0.36 0.00 0.00 54.97 55.28 2jmj s GLU 26 Cb -0.12 -0.16 -0.10 0.00 0.26 0.00 0.00 34.13 34.01 2jmj s GLU 26 CO -0.06 -0.11 0.98 0.08 -0.54 0.00 0.00 175.26 175.60 2jmj s VAL 27 N 0.74 4.10 0.00 3.70 1.01 -1.26 -2.49 120.40 126.20 2jmj s VAL 27 Ca -0.06 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2jmj s VAL 27 Cb -0.09 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jmj s VAL 27 CO -0.02 -0.07 0.00 -1.22 0.00 0.00 0.00 175.10 173.78 2jmj n TYR 28 N -0.13 0.00 -1.52 5.22 4.01 -1.12 -4.93 117.16 118.68 2jmj n TYR 28 Ca 0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.42 2jmj n TYR 28 Cb 0.51 0.00 0.06 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 -1.94 0.00 1.15 0.00 -1.74 -1.26 -1.56 117.46 112.10 2jmj n PHE 30 Ca 0.13 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.09 2jmj n PHE 30 Cb 0.48 0.00 0.41 0.00 1.52 0.00 0.00 39.48 41.89 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 -0.87 -2.81 -4.15 0.00 1.85 -0.60 -4.92 116.66 105.15 2jmj n ARG 32 Ca 0.10 0.41 -0.12 0.00 -1.00 0.00 0.00 57.85 57.24 2jmj n ARG 32 Cb 0.05 -5.03 -0.08 0.00 -1.05 0.00 0.00 32.46 26.34 2jmj n ARG 32 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2jmj s ASN 33 N -2.39 0.33 1.05 2.89 6.03 -1.26 -5.00 114.94 116.59 2jmj s ASN 33 Ca 0.22 -1.33 -0.12 0.00 -1.03 0.00 0.00 52.86 50.60 2jmj s ASN 33 Cb -0.12 0.48 0.22 0.00 -3.03 0.00 0.00 41.25 38.80 2jmj s ASN 33 CO 0.27 -0.98 1.07 -0.69 -2.03 0.00 0.00 177.10 174.74 2jmj s VAL 34 N -3.94 2.15 -0.20 3.54 1.01 -1.26 -2.81 120.40 118.89 2jmj s VAL 34 Ca 0.34 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 2jmj s VAL 34 Cb 0.04 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jmj s VAL 34 CO 0.14 -0.06 2.85 -0.24 0.00 0.00 0.00 175.10 177.78 2jmj n SER 35 N -4.54 5.85 0.00 3.32 2.88 -1.04 -4.79 113.62 115.30 2jmj n SER 35 Ca 0.06 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 2jmj n SER 35 Cb 0.54 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2jmj n SER 35 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2jmj n TYR 36 N 1.48 0.00 0.01 0.66 4.02 -1.26 -4.50 117.16 117.57 2jmj n TYR 36 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.25 2jmj n TYR 36 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 2jmj n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmj n GLY 37 N -0.02 -0.95 3.55 2.72 0.00 -1.26 -5.07 105.19 104.16 2jmj n GLY 37 Ca 0.00 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2jmj n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jmj s PRO 38 N -1.07 2.61 0.29 1.61 0.04 -1.26 -4.97 135.00 132.25 2jmj s PRO 38 Ca 0.00 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.68 2jmj s PRO 38 Cb 0.00 -4.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 2jmj s PRO 38 CO 0.00 -2.76 0.04 -1.64 0.04 0.00 0.00 177.00 172.68 2jmj s MET 39 N 7.07 1.52 0.10 4.56 -1.94 -1.26 -0.50 119.30 128.85 2jmj s MET 39 Ca 0.68 -1.82 -0.14 0.00 -1.71 0.00 0.00 55.69 52.70 2jmj s MET 39 Cb -0.13 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 36.00 2jmj s MET 39 CO 0.20 -0.16 0.33 0.54 -0.01 0.00 0.00 175.02 175.92 2jmj s VAL 40 N -3.37 0.09 -0.08 -6.03 0.11 0.33 -4.91 120.40 106.54 2jmj s VAL 40 Ca 0.34 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2jmj s VAL 40 Cb 0.07 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2jmj s VAL 40 CO 0.13 -0.42 -0.06 0.00 -3.33 0.00 0.00 175.10 171.42 2jmj s ALA 41 N -3.63 3.02 -0.02 1.54 0.00 -1.26 0.74 121.76 122.16 2jmj s ALA 41 Ca 0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.80 2jmj s ALA 41 Cb 0.02 -1.29 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 2jmj s ALA 41 CO -0.10 0.54 2.00 0.00 0.00 0.00 0.00 175.76 178.20 2jmj n ASP 43 N 7.92 7.29 -4.17 0.00 9.92 -1.26 -4.82 116.55 131.43 2jmj n ASP 43 Ca 0.22 -3.79 -0.31 0.00 -0.53 0.00 0.00 54.79 50.38 2jmj n ASP 43 Cb 0.39 -0.91 -0.17 0.00 -0.64 0.00 0.00 41.12 39.80 2jmj n ASP 43 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2jmj s ASN 44 N -1.96 2.83 0.59 -2.24 2.47 -1.26 -5.00 114.94 110.37 2jmj s ASN 44 Ca 0.61 -0.51 0.32 0.00 0.42 0.00 0.00 52.86 53.70 2jmj s ASN 44 Cb 0.48 -1.30 1.22 0.00 -1.45 0.00 0.00 41.25 40.21 2jmj s ASN 44 CO -0.07 0.13 1.50 -0.65 -3.72 0.00 0.00 177.10 174.28 2jmj h PRO 45 N 6.83 0.00 0.00 0.43 0.11 -1.91 -3.01 132.00 134.45 2jmj h PRO 45 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2jmj h PRO 45 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jmj h PRO 45 CO 0.48 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 2jmj n ALA 46 N -2.42 0.00 -1.15 -0.75 0.00 -1.26 -5.01 120.51 109.91 2jmj n ALA 46 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2jmj n ALA 46 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.89 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 1.83 0.02 0.00 0.00 0.11 -1.95 -3.41 132.00 128.61 2jmj h PRO 48 Ca 0.00 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.73 2jmj h PRO 48 Cb 0.23 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.25 2jmj h PRO 48 CO 0.00 0.02 -0.29 1.19 -0.21 0.00 0.00 178.00 178.71 2jmj n PHE 49 N -4.37 0.41 -2.46 0.65 3.01 -1.26 -5.09 117.46 108.35 2jmj n PHE 49 Ca 0.40 -1.57 0.02 0.00 1.01 0.00 0.00 57.45 57.32 2jmj n PHE 49 Cb 1.70 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 41.07 2jmj n PHE 49 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2jmj n GLU 50 N -0.67 0.10 -3.52 -1.08 1.02 -1.26 -4.26 120.64 110.95 2jmj n GLU 50 Ca -0.08 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 2jmj n GLU 50 Cb 0.39 -0.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.75 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 -0.20 -1.37 0.02 -0.32 0.23 -1.25 -3.76 118.94 112.30 2jmj s TRP 51 Ca 0.29 2.13 -0.08 0.00 -2.03 0.00 0.00 56.10 56.42 2jmj s TRP 51 Cb 0.34 0.73 -0.00 0.00 0.03 0.00 0.00 33.47 34.57 2jmj s TRP 51 CO -0.14 -0.70 0.15 -0.06 0.96 0.00 0.00 176.95 177.16 2jmj s PHE 52 N 2.87 0.08 0.14 -1.98 0.40 0.23 -0.66 117.98 119.06 2jmj s PHE 52 Ca 0.00 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2jmj s PHE 52 Cb -0.12 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 2jmj s PHE 52 CO -0.19 -0.35 0.06 -3.38 0.70 0.00 0.00 175.22 172.06 2jmj s HIS 53 N -2.05 3.03 -1.93 0.36 -3.43 -1.26 0.12 115.29 110.14 2jmj s HIS 53 Ca -0.09 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2jmj s HIS 53 Cb -0.04 -1.49 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2jmj s HIS 53 CO -0.01 0.51 0.34 0.66 -2.00 0.00 0.00 174.74 174.24 2jmj n TYR 54 N -0.03 0.00 -0.07 0.38 4.01 0.34 0.31 117.16 122.10 2jmj n TYR 54 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 2jmj n TYR 54 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 2jmj n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jmj n GLY 55 N -0.84 -0.44 0.34 2.72 0.00 -1.26 -4.14 105.19 101.57 2jmj n GLY 55 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2jmj n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmj n VAL 57 N -4.37 0.00 -3.21 0.00 0.24 -0.25 -4.96 118.33 105.79 2jmj n VAL 57 Ca 0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.37 2jmj n VAL 57 Cb 0.11 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.03 -0.30 7.63 0.00 -1.26 -4.87 107.32 107.50 2jmj s GLY 58 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 44.72 45.23 2jmj s GLY 58 CO 0.00 3.47 1.12 0.48 0.00 0.00 0.00 173.10 178.17 2jmj s LEU 59 N 2.60 -0.33 -0.60 0.66 0.05 -1.26 -5.08 118.68 114.73 2jmj s LEU 59 Ca 0.11 0.26 -0.27 0.00 0.05 0.00 0.00 54.13 54.28 2jmj s LEU 59 Cb -0.10 1.30 -0.02 0.00 -2.05 0.00 0.00 46.19 45.32 2jmj s LEU 59 CO -0.25 -0.06 1.84 -0.54 -0.55 0.00 0.00 176.35 176.79 2jmj s LYS 60 N 2.77 2.69 0.33 1.48 1.02 -1.26 -4.63 119.74 122.14 2jmj s LYS 60 Ca -0.03 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.60 2jmj s LYS 60 Cb -0.08 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 32.86 2jmj s LYS 60 CO -0.12 -2.66 0.00 1.04 -0.92 0.00 0.00 175.35 172.69 2jmj n GLN 61 N 9.14 -2.61 -2.09 1.68 6.02 -1.26 -4.78 117.38 123.47 2jmj n GLN 61 Ca 0.20 1.98 -0.43 0.00 -0.01 0.00 0.00 57.00 58.74 2jmj n GLN 61 Cb 0.52 -2.33 -0.03 0.00 1.02 0.00 0.00 30.24 29.42 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 -3.74 3.45 0.81 -1.58 0.00 -1.26 -4.97 121.76 114.47 2jmj s ALA 62 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2jmj s ALA 62 Cb 0.00 -3.79 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 2jmj s ALA 62 CO 0.00 -1.65 0.54 -2.30 0.00 0.00 0.00 175.76 172.35 2jmj n PRO 63 N 7.35 0.09 -0.35 0.00 -0.02 -1.26 -4.84 135.00 135.97 2jmj n PRO 63 Ca 0.18 0.08 0.17 0.00 -2.02 0.00 0.00 63.50 61.91 2jmj n PRO 63 Cb 0.44 -1.89 0.38 0.00 -0.02 0.00 0.00 33.50 32.40 2jmj n PRO 63 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jmj h LYS 64 N -0.83 0.59 0.00 -0.52 1.57 -2.01 -3.38 116.57 112.00 2jmj h LYS 64 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jmj h LYS 64 Cb 1.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jmj h LYS 64 CO 0.40 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 180.08 2jmj n GLY 65 N -1.32 0.00 3.08 3.86 0.00 -1.26 -5.06 105.19 104.49 2jmj n GLY 65 Ca 0.26 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2jmj n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmj s LYS 66 N 0.00 0.73 0.24 1.61 1.02 -1.26 -5.14 119.74 116.94 2jmj s LYS 66 Ca 0.00 -0.59 0.07 0.00 0.02 0.00 0.00 55.97 55.47 2jmj s LYS 66 Cb 0.00 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 2jmj s LYS 66 CO 0.00 0.17 0.13 -0.46 -0.92 0.00 0.00 175.35 174.27 2jmj s TRP 67 N -0.75 3.01 -0.21 3.18 -0.11 -1.26 -4.91 118.94 117.89 2jmj s TRP 67 Ca -0.01 -0.13 -0.04 0.00 1.22 0.00 0.00 56.10 57.14 2jmj s TRP 67 Cb -0.07 -1.37 -0.02 0.00 -1.50 0.00 0.00 33.47 30.52 2jmj s TRP 67 CO 0.01 0.54 -0.03 0.71 -4.62 0.00 0.00 176.95 173.56 2jmj s TYR 68 N -2.10 2.99 0.08 5.86 2.02 -1.26 -4.05 117.35 120.88 2jmj s TYR 68 Ca 0.32 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2jmj s TYR 68 Cb -0.08 -2.08 0.26 0.00 -0.40 0.00 0.00 41.96 39.66 2jmj s TYR 68 CO 0.23 -0.37 0.27 0.00 -1.57 0.00 0.00 175.55 174.11 2jmj s SER 70 N -4.57 -0.47 0.63 0.00 0.01 -1.26 -4.78 113.70 103.25 2jmj s SER 70 Ca -0.01 -0.15 0.28 0.00 1.31 0.00 0.00 55.95 57.38 2jmj s SER 70 Cb 0.05 0.60 1.47 0.00 0.21 0.00 0.00 66.02 68.35 2jmj s SER 70 CO 0.14 -1.02 1.85 0.50 0.41 0.00 0.00 173.24 175.13 2jmj h LYS 71 N 2.05 0.00 0.06 12.44 3.64 -1.98 0.16 116.57 132.93 2jmj h LYS 71 Ca -0.32 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.74 2jmj h LYS 71 Cb 1.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 2jmj h LYS 71 CO 0.37 0.00 -1.77 -0.25 -2.27 0.00 0.00 179.45 175.52 2jmj n ASP 72 N -3.29 2.00 -0.19 4.20 8.00 -1.26 -3.58 116.55 122.43 2jmj n ASP 72 Ca 0.04 0.28 0.28 0.00 0.71 0.00 0.00 54.79 56.10 2jmj n ASP 72 Cb 0.58 -0.87 0.50 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.16 -0.19 0.00 2.10 -1.59 -3.29 116.57 113.77 2jmj h LYS 74 Ca 0.46 -0.28 -0.12 0.00 -2.00 0.00 0.00 60.65 58.72 2jmj h LYS 74 Cb 2.69 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 34.11 2jmj h LYS 74 CO -0.00 1.13 -0.40 0.93 -2.00 0.00 0.00 179.45 179.11 2jmj h GLU 75 N -0.39 0.44 -0.10 0.07 5.08 0.90 -2.42 114.58 118.15 2jmj h GLU 75 Ca -0.38 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 2jmj h GLU 75 Cb 1.72 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2jmj h GLU 75 CO -0.03 0.77 0.02 0.82 -1.00 0.00 0.00 179.01 179.59 2jmj h ILE 76 N 0.36 1.05 -0.19 3.13 2.04 0.29 0.35 117.51 124.55 2jmj h ILE 76 Ca 0.03 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2jmj h ILE 76 Cb 0.86 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jmj h ILE 76 CO 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.27 2jmj h ALA 77 N 1.89 0.26 -0.24 1.87 0.00 -1.50 -3.19 119.26 118.35 2jmj h ALA 77 Ca 0.04 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2jmj h ALA 77 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jmj h ALA 77 CO -0.00 -0.01 -0.59 -0.97 0.00 0.00 0.00 179.25 177.68 2jmj h ASN 78 N 0.08 0.94 -4.75 0.00 -1.24 -1.27 -3.48 115.58 105.87 2jmj h ASN 78 Ca 0.05 -0.56 0.02 0.00 0.71 0.00 0.00 56.30 56.52 2jmj h ASN 78 Cb 0.43 -0.27 -0.17 0.00 0.73 0.00 0.00 38.32 39.04 2jmj h ASN 78 CO 0.01 1.33 0.34 0.00 -1.29 0.00 0.00 177.43 177.83 2jmj s GLN 79 N -4.02 0.97 -0.05 6.67 -2.07 0.12 -5.12 119.66 116.15 2jmj s GLN 79 Ca -0.11 -0.12 -0.16 0.00 -1.82 0.00 0.00 55.36 53.15 2jmj s GLN 79 Cb 0.09 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.41 2jmj s GLN 79 CO 0.89 -0.38 0.42 -0.98 -1.32 0.00 0.00 175.29 173.92 2jmj s ARG 80 N -2.42 4.09 -0.02 9.60 1.70 -1.26 -3.18 118.95 127.46 2jmj s ARG 80 Ca -0.02 0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 55.34 2jmj s ARG 80 Cb -0.01 -3.31 0.10 0.00 -0.57 0.00 0.00 34.95 31.17 2jmj s ARG 80 CO -0.03 0.47 0.97 -1.54 -1.08 0.00 0.00 175.30 174.09 2jmj s SER 81 N -0.36 -0.29 0.20 -2.89 1.04 -1.26 -5.08 113.70 105.06 2jmj s SER 81 Ca 0.24 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2jmj s SER 81 Cb -0.16 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2jmj s SER 81 CO 0.11 -0.58 0.41 -0.54 0.98 0.00 0.00 173.24 173.62 2jmj s LYS 82 N -2.99 3.56 0.00 4.02 1.02 -1.26 -4.99 119.74 119.09 2jmj s LYS 82 Ca 0.07 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2jmj s LYS 82 Cb -0.01 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2jmj s LYS 82 CO -0.07 0.39 0.35 0.43 -0.92 0.00 0.00 175.35 175.53