#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 0.69 -0.03 -1.09 2.02 -1.26 -5.09 118.70 113.95 2jmj s GLU 25 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2jmj s GLU 25 Cb 0.00 -0.70 0.03 0.00 0.10 0.00 0.00 34.13 33.56 2jmj s GLU 25 CO 0.00 -0.01 0.01 -1.21 0.02 0.00 0.00 175.26 174.07 2jmj s GLU 26 N 0.56 0.18 0.60 1.61 2.02 -1.26 -5.04 118.70 117.37 2jmj s GLU 26 Ca -0.07 0.12 -0.17 0.00 0.02 0.00 0.00 54.97 54.87 2jmj s GLU 26 Cb -0.11 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 2jmj s GLU 26 CO -0.00 -0.15 1.10 0.08 0.02 0.00 0.00 175.26 176.31 2jmj s VAL 27 N 1.05 3.40 0.33 2.63 1.01 -1.26 -3.10 120.40 124.46 2jmj s VAL 27 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2jmj s VAL 27 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2jmj s VAL 27 CO -0.02 -0.33 0.00 -1.22 0.00 0.00 0.00 175.10 173.52 2jmj n TYR 28 N -1.93 -3.22 0.11 5.22 4.01 -1.20 -4.91 117.16 115.24 2jmj n TYR 28 Ca 0.10 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.69 2jmj n TYR 28 Cb 0.52 1.90 0.00 0.00 -0.31 0.00 0.00 39.34 41.45 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 -0.44 0.00 0.59 0.00 7.35 -1.26 -4.70 117.46 119.01 2jmj n PHE 30 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2jmj n PHE 30 Cb 0.00 -0.76 0.21 0.00 0.35 0.00 0.00 39.48 39.28 2jmj n PHE 30 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jmj n ARG 32 N -0.88 -0.76 -4.45 0.00 1.74 -1.26 -5.00 116.66 106.06 2jmj n ARG 32 Ca 0.05 0.60 -0.22 0.00 -0.77 0.00 0.00 57.85 57.52 2jmj n ARG 32 Cb 0.02 -4.42 -0.11 0.00 -1.02 0.00 0.00 32.46 26.94 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 -2.55 2.50 0.47 0.55 4.22 -1.26 -4.98 114.94 113.88 2jmj s ASN 33 Ca 0.00 -1.33 -0.04 0.00 -2.14 0.00 0.00 52.86 49.35 2jmj s ASN 33 Cb 0.00 -0.11 -0.03 0.00 1.28 0.00 0.00 41.25 42.39 2jmj s ASN 33 CO 0.00 -0.54 0.75 -0.69 -2.04 0.00 0.00 177.10 174.58 2jmj s VAL 34 N -3.22 4.82 -0.55 3.54 1.01 -1.26 -3.21 120.40 121.53 2jmj s VAL 34 Ca 0.35 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 2jmj s VAL 34 Cb 0.08 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2jmj s VAL 34 CO 0.15 -0.76 2.12 -0.55 0.00 0.00 0.00 175.10 176.06 2jmj s SER 35 N -4.11 4.89 0.05 3.32 0.15 -1.18 -4.82 113.70 112.00 2jmj s SER 35 Ca 0.47 0.72 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 2jmj s SER 35 Cb -0.10 -2.52 -0.23 0.00 -1.71 0.00 0.00 66.02 61.46 2jmj s SER 35 CO 0.43 -2.60 1.16 0.10 1.20 0.00 0.00 173.24 173.54 2jmj h TYR 36 N 17.09 0.89 0.00 3.44 -0.00 -1.94 -3.49 116.97 132.96 2jmj h TYR 36 Ca -0.25 -0.48 0.00 0.00 0.00 0.00 0.00 58.73 58.00 2jmj h TYR 36 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.84 2jmj h TYR 36 CO 1.00 1.31 0.00 0.41 -0.00 0.00 0.00 178.16 180.88 2jmj n GLY 37 N 1.05 4.40 2.09 0.10 0.00 -1.26 -5.11 105.19 106.47 2jmj n GLY 37 Ca -0.11 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2jmj n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jmj n PRO 38 N 0.00 0.00 -4.47 1.61 -0.02 -1.26 -4.67 135.00 126.19 2jmj n PRO 38 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 2jmj n PRO 38 Cb 0.00 -0.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.54 2jmj n PRO 38 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2jmj s MET 39 N 1.54 1.72 0.12 -0.52 -1.94 -1.26 0.46 119.30 119.43 2jmj s MET 39 Ca 0.58 -1.98 -0.24 0.00 -1.71 0.00 0.00 55.69 52.33 2jmj s MET 39 Cb -0.83 -0.80 0.07 0.00 2.01 0.00 0.00 34.83 35.28 2jmj s MET 39 CO 0.45 -0.27 0.69 0.54 -0.01 0.00 0.00 175.02 176.43 2jmj s VAL 40 N -3.29 0.00 -0.09 -6.03 0.11 -0.32 -4.79 120.40 105.99 2jmj s VAL 40 Ca 0.33 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2jmj s VAL 40 Cb 0.07 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2jmj s VAL 40 CO 0.15 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 171.80 2jmj s ALA 41 N -3.58 2.72 -0.72 1.54 0.00 -1.26 0.95 121.76 121.41 2jmj s ALA 41 Ca 0.03 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 2jmj s ALA 41 Cb -0.01 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.81 2jmj s ALA 41 CO -0.10 0.40 2.51 0.00 0.00 0.00 0.00 175.76 178.57 2jmj n ASP 43 N 13.70 5.38 -4.05 0.00 2.03 -1.25 -4.75 116.55 127.61 2jmj n ASP 43 Ca 0.50 -2.46 -0.31 0.00 0.52 0.00 0.00 54.79 53.04 2jmj n ASP 43 Cb 0.33 -1.10 -0.16 0.00 -0.72 0.00 0.00 41.12 39.47 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 1.79 2.77 0.27 1.67 3.04 -1.26 -5.00 114.94 118.22 2jmj s ASN 44 Ca 0.03 -0.52 0.05 0.00 0.04 0.00 0.00 52.86 52.46 2jmj s ASN 44 Cb 0.02 -1.24 0.29 0.00 -1.54 0.00 0.00 41.25 38.78 2jmj s ASN 44 CO -0.00 -0.03 0.95 -2.65 -3.04 0.00 0.00 177.10 172.33 2jmj n PRO 45 N 4.65 0.04 -0.08 0.43 -0.02 -1.26 -1.69 135.00 137.07 2jmj n PRO 45 Ca -0.18 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.59 2jmj n PRO 45 Cb 0.50 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 2jmj n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jmj n ALA 46 N -1.36 1.70 0.00 3.55 0.00 -1.26 -5.04 120.51 118.10 2jmj n ALA 46 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2jmj n ALA 46 Cb 0.50 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 0.00 0.00 0.00 0.00 0.13 -1.96 -3.43 132.00 126.74 2jmj h PRO 48 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2jmj h PRO 48 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2jmj h PRO 48 CO 0.00 0.00 -0.36 1.19 -0.23 0.00 0.00 178.00 178.60 2jmj n PHE 49 N -3.97 0.20 -2.61 1.56 3.01 -1.26 -5.08 117.46 109.31 2jmj n PHE 49 Ca 0.10 -2.03 0.02 0.00 1.01 0.00 0.00 57.45 56.54 2jmj n PHE 49 Cb 0.67 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 40.14 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 -0.75 0.74 -3.39 -1.08 1.02 -1.26 -4.24 120.64 111.67 2jmj n GLU 50 Ca -0.06 -2.50 0.02 0.00 -0.02 0.00 0.00 57.16 54.60 2jmj n GLU 50 Cb 0.48 -0.58 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 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 -1.48 -1.16 -0.06 -0.32 0.23 -1.25 -3.93 118.94 110.96 2jmj s TRP 51 Ca 0.28 1.68 -0.03 0.00 -2.03 0.00 0.00 56.10 56.00 2jmj s TRP 51 Cb 0.34 0.57 0.03 0.00 0.03 0.00 0.00 33.47 34.45 2jmj s TRP 51 CO -0.11 -0.60 0.14 -0.06 0.96 0.00 0.00 176.95 177.29 2jmj s PHE 52 N 2.78 -0.16 0.54 -1.98 0.40 0.27 -1.54 117.98 118.28 2jmj s PHE 52 Ca 0.03 0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 56.66 2jmj s PHE 52 Cb -0.11 -0.05 -0.07 0.00 0.51 0.00 0.00 43.02 43.30 2jmj s PHE 52 CO -0.18 -0.14 1.00 -1.01 0.70 0.00 0.00 175.22 175.58 2jmj s HIS 53 N 0.89 3.44 0.00 0.36 3.76 -1.26 -1.17 115.29 121.31 2jmj s HIS 53 Ca -0.07 1.45 0.23 0.00 -0.15 0.00 0.00 55.06 56.52 2jmj s HIS 53 Cb -0.09 -2.80 0.74 0.00 1.11 0.00 0.00 32.58 31.54 2jmj s HIS 53 CO -0.04 -0.48 1.75 1.88 -0.85 0.00 0.00 174.74 176.99 2jmj h TYR 54 N 0.69 0.00 0.00 1.40 -1.99 -0.26 -0.43 116.97 116.38 2jmj h TYR 54 Ca -0.46 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.15 2jmj h TYR 54 Cb 1.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.90 2jmj h TYR 54 CO 0.64 0.22 -0.58 0.78 -0.00 0.00 0.00 178.16 179.22 2jmj h GLY 55 N 2.59 0.00 0.38 3.88 0.00 -1.92 -3.15 103.07 104.85 2jmj h GLY 55 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jmj h GLY 55 CO 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.48 2jmj n VAL 57 N -4.94 0.00 -3.40 0.00 0.24 -0.24 -5.02 118.33 104.96 2jmj n VAL 57 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 2jmj n VAL 57 Cb 0.26 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.20 0.00 7.63 0.00 -1.25 -4.87 107.32 108.63 2jmj s GLY 58 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2jmj s GLY 58 CO 0.00 2.60 0.00 1.47 0.00 0.00 0.00 173.10 177.17 2jmj n LEU 59 N 5.32 0.00 -4.47 0.66 -0.00 -1.26 -5.08 117.00 112.17 2jmj n LEU 59 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.56 2jmj n LEU 59 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.86 2jmj n LEU 59 CO 0.03 0.00 0.86 -0.54 -0.00 0.00 0.00 177.39 177.74 2jmj s LYS 60 N 0.00 3.16 0.24 1.47 1.02 -1.26 -4.78 119.74 119.59 2jmj s LYS 60 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2jmj s LYS 60 Cb 0.00 -4.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 2jmj s LYS 60 CO 0.00 -1.89 0.00 1.04 -0.92 0.00 0.00 175.35 173.58 2jmj n GLN 61 N 8.02 -2.31 -1.64 1.68 6.02 -1.26 -4.86 117.38 123.02 2jmj n GLN 61 Ca -0.00 1.71 -0.45 0.00 -0.01 0.00 0.00 57.00 58.25 2jmj n GLN 61 Cb 0.46 -1.92 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 2jmj n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jmj n ALA 62 N -0.73 0.50 -1.43 -1.58 0.00 -1.26 -4.94 120.51 111.07 2jmj n ALA 62 Ca 0.00 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 2jmj n ALA 62 Cb 0.00 -2.16 0.06 0.00 0.00 0.00 0.00 19.45 17.36 2jmj n ALA 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmj s PRO 63 N -1.20 2.61 0.40 0.00 0.04 -1.26 -4.91 135.00 130.68 2jmj s PRO 63 Ca 0.62 1.35 0.15 0.00 0.04 0.00 0.00 61.00 63.16 2jmj s PRO 63 Cb -0.67 -1.93 1.01 0.00 0.04 0.00 0.00 34.50 32.95 2jmj s PRO 63 CO 0.57 -1.39 1.87 0.87 0.04 0.00 0.00 177.00 178.95 2jmj h LYS 64 N -0.31 0.47 0.00 4.56 1.57 -2.01 -3.38 116.57 117.48 2jmj h LYS 64 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2jmj h LYS 64 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2jmj h LYS 64 CO 0.53 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 180.13 2jmj n GLY 65 N -1.49 1.15 3.01 3.86 0.00 -1.26 -5.09 105.19 105.37 2jmj n GLY 65 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.58 0.24 0.28 1.61 1.02 -1.26 -5.16 119.74 117.05 2jmj s LYS 66 Ca 0.00 -0.09 0.07 0.00 0.02 0.00 0.00 55.97 55.97 2jmj s LYS 66 Cb 0.00 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2jmj s LYS 66 CO 0.00 -0.04 0.20 -0.46 -0.92 0.00 0.00 175.35 174.13 2jmj s TRP 67 N -0.51 2.98 -0.18 3.18 -0.11 -1.26 -4.88 118.94 118.17 2jmj s TRP 67 Ca -0.06 -0.20 -0.01 0.00 1.22 0.00 0.00 56.10 57.06 2jmj s TRP 67 Cb -0.04 -1.52 -0.00 0.00 -1.50 0.00 0.00 33.47 30.42 2jmj s TRP 67 CO 0.00 0.42 -0.13 0.71 -4.62 0.00 0.00 176.95 173.33 2jmj s TYR 68 N -2.22 2.83 0.05 5.86 2.02 -1.26 -3.79 117.35 120.84 2jmj s TYR 68 Ca 0.35 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.99 2jmj s TYR 68 Cb -0.07 -1.95 0.17 0.00 -0.40 0.00 0.00 41.96 39.72 2jmj s TYR 68 CO 0.25 -0.53 0.21 0.00 -1.57 0.00 0.00 175.55 173.91 2jmj s SER 70 N -4.94 -0.39 0.56 0.00 0.15 -1.26 -4.83 113.70 102.99 2jmj s SER 70 Ca -0.01 -0.25 0.34 0.00 0.70 0.00 0.00 55.95 56.73 2jmj s SER 70 Cb 0.05 0.58 1.48 0.00 -1.71 0.00 0.00 66.02 66.42 2jmj s SER 70 CO 0.11 -1.00 1.79 0.50 1.20 0.00 0.00 173.24 175.83 2jmj h LYS 71 N 2.13 0.00 0.00 5.44 3.64 -1.99 0.20 116.57 125.99 2jmj h LYS 71 Ca -0.31 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 2jmj h LYS 71 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2jmj h LYS 71 CO 0.38 0.00 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.84 2jmj h ASP 72 N 0.00 0.00 -1.12 4.20 3.32 -1.94 -3.18 116.42 117.70 2jmj h ASP 72 Ca 0.47 -0.70 0.38 0.00 0.02 0.00 0.00 57.03 57.20 2jmj h ASP 72 Cb 2.06 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 41.50 2jmj h ASP 72 CO -0.00 1.02 0.72 0.00 -1.72 0.00 0.00 179.24 179.25 2jmj h LYS 74 N 0.00 -0.15 -0.89 0.00 3.64 -1.50 -2.86 116.57 114.82 2jmj h LYS 74 Ca 0.70 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 60.16 2jmj h LYS 74 Cb 2.29 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 34.08 2jmj h LYS 74 CO -0.35 0.30 0.58 1.49 -2.27 0.00 0.00 179.45 179.19 2jmj h GLU 75 N -0.92 0.94 -0.15 1.90 4.81 0.19 0.30 114.58 121.64 2jmj h GLU 75 Ca -0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2jmj h GLU 75 Cb 0.51 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jmj h GLU 75 CO 0.03 0.62 -0.07 0.82 -0.73 0.00 0.00 179.01 179.68 2jmj h ILE 76 N 0.96 1.14 -0.60 2.32 2.04 0.19 -1.73 117.51 121.83 2jmj h ILE 76 Ca 0.39 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2jmj h ILE 76 Cb 0.26 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2jmj h ILE 76 CO -0.15 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.28 2jmj h ALA 77 N 1.72 0.80 0.71 1.87 0.00 -0.70 -3.20 119.26 120.46 2jmj h ALA 77 Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2jmj h ALA 77 Cb 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jmj h ALA 77 CO 0.01 0.55 -0.34 -0.97 0.00 0.00 0.00 179.25 178.50 2jmj h ASN 78 N 0.90 -0.80 -0.82 0.00 -0.73 -1.00 -3.45 115.58 109.66 2jmj h ASN 78 Ca 0.18 0.03 -0.17 0.00 1.87 0.00 0.00 56.30 58.21 2jmj h ASN 78 Cb 0.43 0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.16 2jmj h ASN 78 CO 0.01 -0.54 -0.16 0.00 -0.37 0.00 0.00 177.43 176.37 2jmj n GLN 79 N -4.73 -1.57 -3.43 6.67 1.13 -0.76 -4.85 117.38 109.83 2jmj n GLN 79 Ca -0.12 0.63 -0.37 0.00 -1.94 0.00 0.00 57.00 55.20 2jmj n GLN 79 Cb 0.37 -4.71 -0.04 0.00 0.11 0.00 0.00 30.24 25.97 2jmj n GLN 79 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jmj n ARG 80 N -0.91 3.12 -0.21 -1.09 1.74 -1.26 -4.87 116.66 113.18 2jmj n ARG 80 Ca -0.08 -4.53 0.04 0.00 -0.77 0.00 0.00 57.85 52.51 2jmj n ARG 80 Cb 0.41 -2.42 0.30 0.00 -1.02 0.00 0.00 32.46 29.73 2jmj n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jmj h SER 81 N 5.60 0.76 0.00 0.55 0.87 -1.98 -3.44 113.55 115.91 2jmj h SER 81 Ca 0.18 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2jmj h SER 81 Cb 0.74 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2jmj h SER 81 CO 0.98 0.51 0.00 1.17 -0.53 0.00 0.00 176.83 178.95 2jmj n LYS 82 N -4.47 0.00 0.00 2.24 4.81 -1.26 -5.29 118.16 114.19 2jmj n LYS 82 Ca 0.10 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.66 2jmj n LYS 82 Cb 0.16 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.33 2jmj n LYS 82 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02