#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j73 s GLU 7 N 0.00 0.76 -0.08 -0.78 2.56 -1.19 -3.46 118.70 116.52 2j73 s GLU 7 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 54.97 55.90 2j73 s GLU 7 Cb 0.00 0.37 0.02 0.00 2.00 0.00 0.00 34.13 36.52 2j73 s GLU 7 CO 0.00 -0.09 -0.11 0.99 -0.56 0.00 0.00 175.26 175.49 2j73 s THR 8 N 0.35 1.12 -0.14 -1.70 2.01 0.38 -4.60 115.64 113.06 2j73 s THR 8 Ca 0.01 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.58 2j73 s THR 8 Cb -0.05 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2j73 s THR 8 CO -0.01 0.36 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.20 2j73 s THR 9 N 0.89 2.33 -0.14 -0.82 2.01 -0.55 -0.88 115.64 118.47 2j73 s THR 9 Ca -0.10 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2j73 s THR 9 Cb -0.15 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2j73 s THR 9 CO 0.01 0.54 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 2j73 s ILE 10 N 0.76 2.05 -0.26 1.82 1.01 0.20 -1.66 121.20 125.12 2j73 s ILE 10 Ca -0.07 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 2j73 s ILE 10 Cb -0.16 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2j73 s ILE 10 CO -0.00 0.55 0.14 -0.69 0.00 0.00 0.00 174.94 174.94 2j73 s VAL 11 N 0.83 4.98 -0.19 2.92 1.01 -0.22 0.03 120.40 129.75 2j73 s VAL 11 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2j73 s VAL 11 Cb -0.15 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 2j73 s VAL 11 CO -0.02 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.59 2j73 s VAL 12 N 1.53 2.98 -0.13 2.92 1.01 0.07 -1.09 120.40 127.68 2j73 s VAL 12 Ca 0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 2j73 s VAL 12 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2j73 s VAL 12 CO 0.07 0.47 0.13 -1.00 0.00 0.00 0.00 175.10 174.77 2j73 s HIS 13 N 1.21 3.54 -0.03 5.22 3.76 0.18 -0.70 115.29 128.46 2j73 s HIS 13 Ca 0.02 0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 55.39 2j73 s HIS 13 Cb -0.14 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.61 2j73 s HIS 13 CO -0.04 0.64 0.05 -0.47 -0.85 0.00 0.00 174.74 174.07 2j73 s TYR 14 N -0.76 0.04 -0.12 1.40 5.04 -0.32 -1.02 117.35 121.61 2j73 s TYR 14 Ca 0.13 0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 2j73 s TYR 14 Cb -0.12 -0.36 -0.01 0.00 0.35 0.00 0.00 41.96 41.83 2j73 s TYR 14 CO 0.03 -0.14 -0.19 -1.58 -1.34 0.00 0.00 175.55 172.33 2j73 s HIS 15 N 1.63 2.68 -0.08 4.97 5.65 -0.60 -1.16 115.29 128.39 2j73 s HIS 15 Ca -0.02 -0.91 0.02 0.00 0.25 0.00 0.00 55.06 54.40 2j73 s HIS 15 Cb -0.12 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.47 2j73 s HIS 15 CO -0.03 -0.36 -0.12 1.03 -0.65 0.00 0.00 174.74 174.62 2j73 s ARG 16 N 0.41 2.87 0.40 2.88 0.52 -1.26 -1.03 118.95 123.74 2j73 s ARG 16 Ca -0.14 -0.65 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 2j73 s ARG 16 Cb -0.17 -2.52 0.84 0.00 0.52 0.00 0.00 34.95 33.61 2j73 s ARG 16 CO 0.06 0.49 2.05 1.88 0.02 0.00 0.00 175.30 179.81 2j73 h TYR 17 N 5.79 0.55 -0.00 -0.53 -1.99 -1.98 -2.73 116.97 116.07 2j73 h TYR 17 Ca -0.40 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.34 2j73 h TYR 17 Cb 1.18 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.72 2j73 h TYR 17 CO 0.51 0.34 -0.02 -0.40 -0.00 0.00 0.00 178.16 178.59 2j73 n ASP 18 N -4.47 0.05 -0.27 3.88 5.68 -1.26 -4.95 116.55 115.21 2j73 n ASP 18 Ca 0.04 0.07 -0.03 0.00 -0.50 0.00 0.00 54.79 54.36 2j73 n ASP 18 Cb 0.06 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 39.69 2j73 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j73 n GLY 19 N 1.37 0.45 3.14 6.12 0.00 -1.03 -4.94 105.19 110.31 2j73 n GLY 19 Ca 0.11 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2j73 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j73 s LYS 20 N -1.90 2.27 0.00 1.61 1.02 -1.26 -4.94 119.74 116.54 2j73 s LYS 20 Ca 0.00 -2.00 0.18 0.00 0.02 0.00 0.00 55.97 54.17 2j73 s LYS 20 Cb 0.00 -3.71 -0.17 0.00 -0.52 0.00 0.00 37.83 33.42 2j73 s LYS 20 CO 0.00 -1.13 0.77 0.66 -0.92 0.00 0.00 175.35 174.73 2j73 n TYR 21 N 4.37 0.00 -1.69 3.18 4.01 -1.26 -4.95 117.16 120.82 2j73 n TYR 21 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 2j73 n TYR 21 Cb 0.40 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 2j73 n TYR 21 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2j73 n ASP 22 N -1.29 3.39 0.00 7.72 8.00 -1.26 -1.84 116.55 131.26 2j73 n ASP 22 Ca 0.04 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.63 2j73 n ASP 22 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 2j73 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j73 n GLY 23 N 3.19 2.74 3.75 0.44 0.00 -1.26 -4.95 105.19 109.10 2j73 n GLY 23 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2j73 n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2j73 s TRP 24 N -2.04 3.30 0.33 1.61 0.52 -0.77 -0.74 118.94 121.14 2j73 s TRP 24 Ca 0.00 1.41 -0.08 0.00 0.02 0.00 0.00 56.10 57.44 2j73 s TRP 24 Cb 0.00 -3.53 0.01 0.00 -1.15 0.00 0.00 33.47 28.81 2j73 s TRP 24 CO 0.00 -1.48 0.56 0.54 0.02 0.00 0.00 176.95 176.58 2j73 s ASN 25 N -0.18 0.44 -0.13 2.95 4.22 0.09 -4.63 114.94 117.70 2j73 s ASN 25 Ca 0.51 -1.26 0.03 0.00 -2.14 0.00 0.00 52.86 50.00 2j73 s ASN 25 Cb -0.36 0.69 0.01 0.00 1.28 0.00 0.00 41.25 42.87 2j73 s ASN 25 CO 0.43 -1.36 -0.21 -0.76 -2.04 0.00 0.00 177.10 173.15 2j73 s LEU 26 N -3.14 2.06 -0.39 3.54 1.43 0.02 -1.43 118.68 120.76 2j73 s LEU 26 Ca 0.25 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 2j73 s LEU 26 Cb -0.02 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2j73 s LEU 26 CO 0.15 0.08 0.42 0.86 0.23 0.00 0.00 176.35 178.10 2j73 s TRP 27 N 0.76 3.18 -0.04 0.29 -0.11 -0.05 -0.05 118.94 122.92 2j73 s TRP 27 Ca -0.09 -0.23 0.06 0.00 1.22 0.00 0.00 56.10 57.06 2j73 s TRP 27 Cb -0.16 -2.83 -0.01 0.00 -1.50 0.00 0.00 33.47 28.97 2j73 s TRP 27 CO -0.00 -0.61 -0.22 0.42 -4.62 0.00 0.00 176.95 171.92 2j73 s ILE 28 N 2.12 1.79 0.01 5.86 1.01 -0.58 -0.92 121.20 130.48 2j73 s ILE 28 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2j73 s ILE 28 Cb -0.17 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2j73 s ILE 28 CO 0.13 0.50 -0.05 -1.66 0.00 0.00 0.00 174.94 173.86 2j73 s TRP 29 N -0.22 0.47 0.44 3.97 -2.14 -0.74 -1.97 118.94 118.75 2j73 s TRP 29 Ca 0.00 -0.21 -0.24 0.00 2.66 0.00 0.00 56.10 58.31 2j73 s TRP 29 Cb -0.12 -0.29 -0.08 0.00 -3.10 0.00 0.00 33.47 29.88 2j73 s TRP 29 CO 0.02 -0.04 1.26 -2.14 -2.66 0.00 0.00 176.95 173.39 2j73 s PRO 30 N -0.57 3.79 0.00 3.25 0.02 -1.26 -0.54 135.00 139.70 2j73 s PRO 30 Ca -0.02 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2j73 s PRO 30 Cb -0.04 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2j73 s PRO 30 CO -0.00 -0.60 0.00 0.28 -0.33 0.00 0.00 177.00 176.35 2j73 n VAL 31 N -0.22 0.00 -4.20 3.83 0.31 -0.46 -2.74 118.33 114.85 2j73 n VAL 31 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 2j73 n VAL 31 Cb 0.45 -0.43 -0.13 0.00 -0.91 0.00 0.00 33.84 32.83 2j73 n VAL 31 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2j73 s GLU 32 N -1.64 0.69 0.00 5.55 0.41 -0.91 -3.77 118.70 119.03 2j73 s GLU 32 Ca 0.00 -0.68 0.25 0.00 -0.41 0.00 0.00 54.97 54.13 2j73 s GLU 32 Cb 0.00 -0.61 1.29 0.00 -1.78 0.00 0.00 34.13 33.03 2j73 s GLU 32 CO 0.00 0.14 1.86 -0.35 -0.49 0.00 0.00 175.26 176.42 2j73 n PRO 33 N 1.85 1.29 -4.21 0.39 -0.04 -1.26 -0.82 135.00 132.19 2j73 n PRO 33 Ca -0.19 -0.42 -0.17 0.00 -0.04 0.00 0.00 63.50 62.67 2j73 n PRO 33 Cb 0.55 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 2j73 n PRO 33 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2j73 s VAL 34 N -1.96 1.21 -0.14 0.52 -7.23 -1.26 -5.13 120.40 106.41 2j73 s VAL 34 Ca 0.37 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2j73 s VAL 34 Cb 0.18 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 2j73 s VAL 34 CO 0.30 -0.40 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.05 2j73 s SER 35 N -2.30 4.42 0.04 4.85 0.15 -1.25 -1.94 113.70 117.67 2j73 s SER 35 Ca 0.06 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.49 2j73 s SER 35 Cb -0.06 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 2j73 s SER 35 CO 0.02 0.18 -0.03 -1.10 1.20 0.00 0.00 173.24 173.51 2j73 s GLN 36 N 0.29 0.53 0.43 5.44 -0.21 -1.11 -4.98 119.66 120.05 2j73 s GLN 36 Ca -0.07 -1.03 -0.23 0.00 0.02 0.00 0.00 55.36 54.05 2j73 s GLN 36 Cb -0.15 0.16 -0.11 0.00 1.00 0.00 0.00 33.01 33.91 2j73 s GLN 36 CO 0.04 -0.09 0.85 -1.91 -2.12 0.00 0.00 175.29 172.06 2j73 n GLU 37 N 0.57 1.04 -0.68 2.91 4.07 -1.26 -4.15 120.64 123.14 2j73 n GLU 37 Ca -0.17 0.37 -0.02 0.00 -0.06 0.00 0.00 57.16 57.28 2j73 n GLU 37 Cb 0.59 -1.86 0.01 0.00 -0.06 0.00 0.00 31.44 30.13 2j73 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j73 n GLY 38 N 1.40 0.33 3.15 8.31 0.00 -1.26 -4.76 105.19 112.36 2j73 n GLY 38 Ca 0.11 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 2j73 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j73 s LYS 39 N -2.80 0.68 0.14 1.61 1.02 -0.83 -4.97 119.74 114.59 2j73 s LYS 39 Ca 0.07 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 2j73 s LYS 39 Cb -0.00 0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 37.50 2j73 s LYS 39 CO 0.05 -0.18 0.74 0.00 -0.92 0.00 0.00 175.35 175.03 2j73 s ALA 40 N -3.05 3.47 -0.04 5.17 0.00 -1.26 -1.53 121.76 124.52 2j73 s ALA 40 Ca -0.01 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.28 2j73 s ALA 40 Cb 0.01 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2j73 s ALA 40 CO -0.07 0.30 -0.14 0.71 0.00 0.00 0.00 175.76 176.56 2j73 s TYR 41 N -1.07 1.44 0.14 0.00 2.02 0.93 -4.97 117.35 115.84 2j73 s TYR 41 Ca 0.35 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2j73 s TYR 41 Cb -0.22 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2j73 s TYR 41 CO 0.25 -0.17 0.34 -0.65 -1.57 0.00 0.00 175.55 173.75 2j73 s GLN 42 N 0.21 3.53 0.09 -0.62 -1.52 -1.26 -0.80 119.66 119.28 2j73 s GLN 42 Ca -0.06 -0.29 -0.31 0.00 -1.95 0.00 0.00 55.36 52.75 2j73 s GLN 42 Cb -0.11 -2.90 -0.08 0.00 -0.22 0.00 0.00 33.01 29.70 2j73 s GLN 42 CO 0.02 0.48 1.50 -0.06 -0.25 0.00 0.00 175.29 176.98 2j73 s PHE 43 N -1.70 2.91 -0.42 0.91 0.08 -1.26 -4.65 117.98 113.84 2j73 s PHE 43 Ca 0.38 0.69 0.22 0.00 0.12 0.00 0.00 56.93 58.34 2j73 s PHE 43 Cb -0.12 -3.81 -0.20 0.00 -0.57 0.00 0.00 43.02 38.33 2j73 s PHE 43 CO 0.27 -3.01 0.75 0.25 -0.10 0.00 0.00 175.22 173.38 2j73 n THR 44 N 4.30 0.08 -3.32 0.64 -2.24 0.60 -4.95 114.28 109.39 2j73 n THR 44 Ca 0.13 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 2j73 n THR 44 Cb 0.41 0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.93 2j73 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j73 n GLY 45 N 1.34 1.52 3.43 3.38 0.00 -0.58 -5.01 105.19 109.27 2j73 n GLY 45 Ca -0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 2j73 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j73 s GLU 46 N -2.02 1.01 0.00 1.61 -1.05 -1.26 -1.13 118.70 115.86 2j73 s GLU 46 Ca 0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2j73 s GLU 46 Cb -0.01 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2j73 s GLU 46 CO 0.02 -0.34 0.00 -0.40 0.95 0.00 0.00 175.26 175.50 2j73 n ASP 47 N 0.73 0.00 0.16 0.83 5.68 -0.40 -4.91 116.55 118.64 2j73 n ASP 47 Ca -0.19 -0.52 0.13 0.00 -0.50 0.00 0.00 54.79 53.71 2j73 n ASP 47 Cb 0.58 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.12 2j73 n ASP 47 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2j73 h ASP 48 N 0.00 0.00 0.64 -1.12 2.03 -2.02 -2.40 116.42 113.55 2j73 h ASP 48 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 2j73 h ASP 48 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 2j73 h ASP 48 CO 0.00 0.00 -1.46 0.33 -1.03 0.00 0.00 179.24 177.08 2j73 n PHE 49 N -2.38 0.84 0.00 4.15 7.35 -1.26 -5.07 117.46 121.10 2j73 n PHE 49 Ca 0.01 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 2j73 n PHE 49 Cb 0.20 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.01 2j73 n PHE 49 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2j73 n GLY 50 N 1.38 0.34 3.90 7.13 0.00 -0.91 -4.12 105.19 112.91 2j73 n GLY 50 Ca -0.09 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 2j73 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j73 s LYS 51 N -1.22 3.63 -0.03 1.61 -0.14 -0.30 -1.28 119.74 122.00 2j73 s LYS 51 Ca 0.00 0.28 0.02 0.00 -1.36 0.00 0.00 55.97 54.92 2j73 s LYS 51 Cb 0.00 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2j73 s LYS 51 CO 0.00 -0.13 -0.10 0.08 -0.76 0.00 0.00 175.35 174.45 2j73 s VAL 52 N -2.58 0.87 -0.09 3.17 1.01 -0.29 -1.18 120.40 121.32 2j73 s VAL 52 Ca 0.48 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2j73 s VAL 52 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2j73 s VAL 52 CO 0.39 0.27 -0.21 0.00 0.00 0.00 0.00 175.10 175.56 2j73 s ALA 53 N 0.32 1.91 -0.42 5.51 0.00 0.12 -0.29 121.76 128.89 2j73 s ALA 53 Ca -0.06 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 2j73 s ALA 53 Cb -0.10 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.34 2j73 s ALA 53 CO 0.01 0.25 0.31 0.08 0.00 0.00 0.00 175.76 176.41 2j73 s VAL 54 N 0.38 5.00 -0.26 0.00 1.01 -1.26 -0.76 120.40 124.52 2j73 s VAL 54 Ca -0.16 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 2j73 s VAL 54 Cb -0.17 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2j73 s VAL 54 CO 0.07 -0.41 0.10 -0.69 0.00 0.00 0.00 175.10 174.18 2j73 s VAL 55 N 1.61 4.59 -0.12 2.92 1.01 0.10 -4.97 120.40 125.55 2j73 s VAL 55 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2j73 s VAL 55 Cb -0.21 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2j73 s VAL 55 CO 0.07 0.32 -0.16 -0.54 0.00 0.00 0.00 175.10 174.79 2j73 s LYS 56 N 1.63 3.29 -0.14 2.72 1.02 -1.26 -0.63 119.74 126.36 2j73 s LYS 56 Ca 0.06 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2j73 s LYS 56 Cb -0.15 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2j73 s LYS 56 CO 0.06 0.20 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.98 2j73 s LEU 57 N 0.36 1.99 -1.04 3.17 1.43 -0.06 -4.98 118.68 119.54 2j73 s LEU 57 Ca -0.13 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 2j73 s LEU 57 Cb -0.17 -1.35 -0.13 0.00 0.03 0.00 0.00 46.19 44.58 2j73 s LEU 57 CO 0.07 0.04 2.94 -0.81 0.23 0.00 0.00 176.35 178.81 2j73 n PRO 58 N 4.25 2.89 -3.92 1.29 -0.04 -1.26 -0.47 135.00 137.74 2j73 n PRO 58 Ca -0.20 -1.70 -0.10 0.00 -0.04 0.00 0.00 63.50 61.46 2j73 n PRO 58 Cb 0.51 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 2j73 n PRO 58 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2j73 s MET 59 N 2.08 0.45 -0.20 0.54 -1.94 -1.22 -4.71 119.30 114.30 2j73 s MET 59 Ca 0.62 -0.55 -0.28 0.00 -1.71 0.00 0.00 55.69 53.78 2j73 s MET 59 Cb 0.20 0.18 -0.00 0.00 2.01 0.00 0.00 34.83 37.22 2j73 s MET 59 CO -0.04 -0.10 0.96 0.34 -0.01 0.00 0.00 175.02 176.17 2j73 s ASP 60 N -1.58 7.05 0.03 3.03 2.15 -1.26 -2.80 116.67 123.30 2j73 s ASP 60 Ca -0.13 1.31 0.02 0.00 0.43 0.00 0.00 52.55 54.18 2j73 s ASP 60 Cb -0.07 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 40.02 2j73 s ASP 60 CO -0.01 -0.56 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.60 2j73 s LEU 61 N 2.75 2.18 -0.00 -1.34 1.43 -1.26 -4.42 118.68 118.02 2j73 s LEU 61 Ca 0.42 -0.42 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2j73 s LEU 61 Cb -0.16 -0.25 -0.15 0.00 0.03 0.00 0.00 46.19 45.66 2j73 s LEU 61 CO 0.09 -0.10 0.50 0.35 0.23 0.00 0.00 176.35 177.42 2j73 n THR 62 N 1.89 0.00 -3.68 5.49 -2.24 0.00 -4.69 114.28 111.05 2j73 n THR 62 Ca -0.20 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2j73 n THR 62 Cb 0.56 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.55 2j73 n THR 62 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2j73 s LYS 63 N -2.36 0.66 0.14 -0.78 2.20 -1.12 -0.68 119.74 117.80 2j73 s LYS 63 Ca 0.03 0.83 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2j73 s LYS 63 Cb 0.10 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2j73 s LYS 63 CO 0.54 -0.09 -0.11 0.14 -0.36 0.00 0.00 175.35 175.47 2j73 s VAL 64 N 0.46 1.20 0.23 4.02 -7.23 -0.80 -1.35 120.40 116.92 2j73 s VAL 64 Ca -0.01 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2j73 s VAL 64 Cb -0.04 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2j73 s VAL 64 CO -0.01 -0.65 0.42 -0.83 -0.31 0.00 0.00 175.10 173.71 2j73 s GLY 65 N -2.94 1.71 -0.12 2.32 0.00 0.30 -0.89 107.32 107.70 2j73 s GLY 65 Ca 0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 2j73 s GLY 65 CO 0.01 -0.79 0.30 -1.50 0.00 0.00 0.00 173.10 171.12 2j73 s ILE 66 N -1.94 -0.01 -0.03 0.90 2.07 0.10 -1.78 121.20 120.50 2j73 s ILE 66 Ca 0.39 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.69 2j73 s ILE 66 Cb -0.11 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.06 2j73 s ILE 66 CO 0.30 0.02 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.62 2j73 s ILE 67 N 0.52 0.83 -0.24 2.00 1.01 -0.10 -2.66 121.20 122.56 2j73 s ILE 67 Ca -0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 2j73 s ILE 67 Cb -0.04 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 2j73 s ILE 67 CO -0.03 0.26 0.52 -0.69 0.00 0.00 0.00 174.94 175.00 2j73 s VAL 68 N 0.25 5.08 0.11 2.92 1.01 -1.26 -0.87 120.40 127.64 2j73 s VAL 68 Ca -0.04 0.91 0.04 0.00 0.00 0.00 0.00 61.98 62.88 2j73 s VAL 68 Cb -0.10 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2j73 s VAL 68 CO 0.01 0.12 -0.10 0.00 0.00 0.00 0.00 175.10 175.12 2j73 s ARG 69 N 2.06 0.89 -0.28 2.72 1.70 -0.52 -0.98 118.95 124.55 2j73 s ARG 69 Ca 0.22 -1.21 -0.11 0.00 -0.47 0.00 0.00 55.73 54.17 2j73 s ARG 69 Cb -0.16 -0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 33.60 2j73 s ARG 69 CO 0.09 0.09 0.18 -1.17 -1.08 0.00 0.00 175.30 173.41 2j73 s LEU 70 N -2.55 3.98 0.00 -1.89 2.96 -0.30 -0.73 118.68 120.16 2j73 s LEU 70 Ca 0.07 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2j73 s LEU 70 Cb -0.02 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2j73 s LEU 70 CO 0.00 -0.05 0.00 0.59 -1.32 0.00 0.00 176.35 175.57 2j73 n ASN 71 N 5.05 0.00 -4.11 3.68 3.02 0.08 -0.87 115.26 122.11 2j73 n ASN 71 Ca -0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 2j73 n ASN 71 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2j73 n ASN 71 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2j73 n GLU 72 N 13.95 3.69 -2.62 3.52 -0.58 -1.26 -4.56 120.64 132.77 2j73 n GLU 72 Ca 0.00 -3.88 -0.18 0.00 -0.42 0.00 0.00 57.16 52.67 2j73 n GLU 72 Cb 0.00 -2.85 0.01 0.00 -0.57 0.00 0.00 31.44 28.03 2j73 n GLU 72 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2j73 n TRP 73 N 3.83 -1.26 0.08 -0.32 7.02 -1.16 -4.89 117.44 120.75 2j73 n TRP 73 Ca 0.35 0.22 0.03 0.00 -1.02 0.00 0.00 57.50 57.08 2j73 n TRP 73 Cb 0.38 -3.76 0.39 0.00 -2.42 0.00 0.00 31.31 25.90 2j73 n TRP 73 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2j73 h GLN 74 N -0.59 0.35 -2.93 -0.99 4.20 -1.24 -3.46 115.11 110.45 2j73 h GLN 74 Ca -0.44 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.23 2j73 h GLN 74 Cb 1.31 -0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.93 2j73 h GLN 74 CO 0.49 0.39 0.24 0.00 -0.67 0.00 0.00 178.83 179.28 2j73 s ALA 75 N -4.97 -1.54 -0.07 3.87 0.00 -1.24 -4.95 121.76 112.84 2j73 s ALA 75 Ca -0.07 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2j73 s ALA 75 Cb 0.16 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 2j73 s ALA 75 CO 0.73 -0.82 -0.23 0.15 0.00 0.00 0.00 175.76 175.59 2j73 s LYS 76 N -3.72 2.64 -0.63 0.00 1.02 -1.26 -1.15 119.74 116.64 2j73 s LYS 76 Ca 0.04 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.97 2j73 s LYS 76 Cb -0.02 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2j73 s LYS 76 CO -0.08 0.27 0.85 0.34 -0.92 0.00 0.00 175.35 175.81 2j73 s ASP 77 N 0.09 6.19 -0.02 2.83 2.15 -0.15 -4.31 116.67 123.45 2j73 s ASP 77 Ca -0.10 -1.22 -0.01 0.00 0.43 0.00 0.00 52.55 51.64 2j73 s ASP 77 Cb -0.15 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2j73 s ASP 77 CO 0.06 -1.28 0.02 0.52 -0.17 0.00 0.00 175.17 174.32 2j73 n VAL 78 N 5.73 -4.04 -1.46 1.11 0.31 -1.26 -4.40 118.33 114.32 2j73 n VAL 78 Ca -0.06 0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 64.27 2j73 n VAL 78 Cb 0.44 -3.77 0.06 0.00 -0.91 0.00 0.00 33.84 29.66 2j73 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j73 n ALA 79 N 0.21 6.31 -2.49 3.52 0.00 -1.26 -4.74 120.51 122.06 2j73 n ALA 79 Ca -0.04 -3.50 -0.15 0.00 0.00 0.00 0.00 53.44 49.75 2j73 n ALA 79 Cb 0.06 -1.82 -0.11 0.00 0.00 0.00 0.00 19.45 17.58 2j73 n ALA 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2j73 s LYS 80 N -3.67 0.88 0.32 0.00 -2.85 -1.26 -5.12 119.74 108.03 2j73 s LYS 80 Ca 0.59 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.10 2j73 s LYS 80 Cb 0.47 -0.60 -0.12 0.00 -2.06 0.00 0.00 37.83 35.52 2j73 s LYS 80 CO -0.13 0.10 1.50 -0.25 0.10 0.00 0.00 175.35 176.68 2j73 n ASP 81 N 0.56 3.58 -4.40 0.03 9.92 -1.26 -4.91 116.55 120.07 2j73 n ASP 81 Ca -0.16 1.18 -0.20 0.00 -0.53 0.00 0.00 54.79 55.08 2j73 n ASP 81 Cb 0.58 -1.57 -0.10 0.00 -0.64 0.00 0.00 41.12 39.38 2j73 n ASP 81 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2j73 s ARG 82 N -1.14 1.55 0.05 -1.24 0.52 -1.09 -5.02 118.95 112.59 2j73 s ARG 82 Ca 0.60 -1.85 0.01 0.00 -0.52 0.00 0.00 55.73 53.97 2j73 s ARG 82 Cb -0.52 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 2j73 s ARG 82 CO 0.55 -0.21 -0.06 -0.06 0.02 0.00 0.00 175.30 175.54 2j73 s PHE 83 N -3.45 0.57 -0.10 -0.53 0.08 -1.26 -0.72 117.98 112.57 2j73 s PHE 83 Ca 0.36 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.79 2j73 s PHE 83 Cb 0.08 -0.36 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 2j73 s PHE 83 CO 0.14 -0.17 -0.21 0.42 -0.10 0.00 0.00 175.22 175.31 2j73 s ILE 84 N -2.15 1.85 0.17 0.64 1.01 -0.07 -4.94 121.20 117.72 2j73 s ILE 84 Ca -0.06 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 2j73 s ILE 84 Cb -0.05 -1.62 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 2j73 s ILE 84 CO -0.02 0.51 0.92 -1.61 0.00 0.00 0.00 174.94 174.74 2j73 s GLU 85 N 0.49 4.75 -0.14 2.79 2.02 -1.26 -1.91 118.70 125.44 2j73 s GLU 85 Ca -0.16 1.41 -0.05 0.00 0.02 0.00 0.00 54.97 56.19 2j73 s GLU 85 Cb -0.17 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 2j73 s GLU 85 CO 0.06 0.40 0.03 0.42 0.02 0.00 0.00 175.26 176.19 2j73 s ILE 86 N -0.69 4.51 -0.18 -1.63 -1.09 0.14 -4.76 121.20 117.51 2j73 s ILE 86 Ca 0.42 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.70 2j73 s ILE 86 Cb -0.24 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.70 2j73 s ILE 86 CO 0.30 0.53 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.87 2j73 s LYS 87 N -0.16 2.20 -1.60 2.79 1.02 -0.09 -4.74 119.74 119.17 2j73 s LYS 87 Ca 0.06 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 2j73 s LYS 87 Cb -0.12 -2.32 0.11 0.00 -0.52 0.00 0.00 37.83 34.98 2j73 s LYS 87 CO 0.02 -0.34 0.79 -0.25 -0.92 0.00 0.00 175.35 174.65 2j73 n ASP 88 N 4.71 -3.29 0.00 2.83 8.00 -1.26 -1.78 116.55 125.76 2j73 n ASP 88 Ca -0.16 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2j73 n ASP 88 Cb 0.48 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 2j73 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j73 n GLY 89 N -1.57 0.82 3.18 0.44 0.00 -1.26 -5.02 105.19 101.77 2j73 n GLY 89 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2j73 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j73 s LYS 90 N -0.03 0.84 -0.06 1.61 1.02 -0.73 -1.49 119.74 120.90 2j73 s LYS 90 Ca 0.00 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 2j73 s LYS 90 Cb 0.00 -0.79 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 2j73 s LYS 90 CO 0.00 0.17 0.30 0.00 -0.92 0.00 0.00 175.35 174.90 2j73 s ALA 91 N -1.49 -0.75 -0.06 5.17 0.00 -0.66 -0.91 121.76 123.06 2j73 s ALA 91 Ca -0.00 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 2j73 s ALA 91 Cb -0.09 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2j73 s ALA 91 CO 0.02 -0.21 -0.01 -2.00 0.00 0.00 0.00 175.76 173.56 2j73 s GLU 92 N -0.70 0.67 0.20 0.00 2.12 -1.26 -1.05 118.70 118.67 2j73 s GLU 92 Ca -0.08 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.34 2j73 s GLU 92 Cb -0.04 -0.94 -0.05 0.00 0.26 0.00 0.00 34.13 33.36 2j73 s GLU 92 CO 0.02 -0.25 -0.05 0.14 -0.54 0.00 0.00 175.26 174.59 2j73 s VAL 93 N 1.70 1.13 -0.10 3.70 -7.23 -0.25 -4.59 120.40 114.76 2j73 s VAL 93 Ca 0.01 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 2j73 s VAL 93 Cb -0.13 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2j73 s VAL 93 CO -0.04 -0.49 -0.11 0.26 -0.31 0.00 0.00 175.10 174.40 2j73 s TRP 94 N -3.36 1.65 -0.08 2.82 0.51 0.02 -0.65 118.94 119.86 2j73 s TRP 94 Ca 0.24 -0.76 0.05 0.00 -2.12 0.00 0.00 56.10 53.50 2j73 s TRP 94 Cb 0.04 -1.26 -0.00 0.00 -0.81 0.00 0.00 33.47 31.44 2j73 s TRP 94 CO 0.06 -0.44 -0.23 0.42 -0.51 0.00 0.00 176.95 176.24 2j73 s ILE 95 N 1.18 1.95 -0.02 2.03 1.01 -0.19 -1.41 121.20 125.75 2j73 s ILE 95 Ca -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.67 2j73 s ILE 95 Cb -0.14 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2j73 s ILE 95 CO -0.03 0.54 -0.13 -0.76 0.00 0.00 0.00 174.94 174.56 2j73 s LEU 96 N 0.19 2.81 -0.13 2.97 1.43 -1.26 -1.56 118.68 123.14 2j73 s LEU 96 Ca -0.13 -0.22 -0.40 0.00 -1.03 0.00 0.00 54.13 52.35 2j73 s LEU 96 Cb -0.16 -1.60 -0.17 0.00 0.03 0.00 0.00 46.19 44.29 2j73 s LEU 96 CO 0.07 0.32 1.49 1.67 0.23 0.00 0.00 176.35 180.12 2j73 n GLN 97 N 2.01 0.88 -0.95 1.70 7.27 -0.20 -1.48 117.38 126.61 2j73 n GLN 97 Ca -0.17 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.22 2j73 n GLN 97 Cb 0.52 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 31.23 2j73 n GLN 97 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j73 n GLY 98 N 3.18 0.17 3.49 1.69 0.00 -1.26 -4.96 105.19 107.50 2j73 n GLY 98 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2j73 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j73 s VAL 99 N -1.39 4.60 0.16 1.61 1.01 -0.55 -4.96 120.40 120.89 2j73 s VAL 99 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 2j73 s VAL 99 Cb 0.00 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.26 2j73 s VAL 99 CO 0.00 0.31 1.66 -0.08 0.00 0.00 0.00 175.10 177.00 2j73 h GLU 100 N 8.26 0.89 -6.70 2.72 4.81 -1.94 -3.42 114.58 119.21 2j73 h GLU 100 Ca -0.37 -0.23 -0.52 0.00 -0.13 0.00 0.00 59.36 58.11 2j73 h GLU 100 Cb 1.18 -0.11 0.04 0.00 0.63 0.00 0.00 28.75 30.49 2j73 h GLU 100 CO 0.57 0.85 0.68 -2.00 -0.73 0.00 0.00 179.01 178.38 2j73 s GLU 101 N -5.26 4.36 -0.15 1.92 2.12 -1.26 -5.00 118.70 115.43 2j73 s GLU 101 Ca -0.13 2.12 -0.12 0.00 0.36 0.00 0.00 54.97 57.20 2j73 s GLU 101 Cb 0.12 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 2j73 s GLU 101 CO 0.81 -0.29 0.23 0.42 -0.54 0.00 0.00 175.26 175.89 2j73 s ILE 102 N 0.07 5.34 -0.02 -3.70 1.01 -1.26 -4.73 121.20 117.92 2j73 s ILE 102 Ca 0.57 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.62 2j73 s ILE 102 Cb -0.38 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2j73 s ILE 102 CO 0.40 0.46 0.17 -0.36 0.00 0.00 0.00 174.94 175.61 2j73 s PHE 103 N 0.02 3.52 -0.84 3.97 0.08 -0.50 -4.95 117.98 119.28 2j73 s PHE 103 Ca 0.15 0.35 0.11 0.00 0.12 0.00 0.00 56.93 57.66 2j73 s PHE 103 Cb -0.13 -1.83 0.33 0.00 -0.57 0.00 0.00 43.02 40.83 2j73 s PHE 103 CO 0.03 0.64 1.28 0.66 -0.10 0.00 0.00 175.22 177.73 2j73 n TYR 104 N 1.03 0.52 -4.02 0.36 4.01 -1.26 -0.80 117.16 117.01 2j73 n TYR 104 Ca -0.12 -0.54 -0.09 0.00 -0.16 0.00 0.00 57.90 56.99 2j73 n TYR 104 Cb 0.53 -0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 39.39 2j73 n TYR 104 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2j73 s GLU 105 N -1.21 0.41 -0.01 -0.72 2.02 -1.26 -4.88 118.70 113.04 2j73 s GLU 105 Ca 0.25 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2j73 s GLU 105 Cb 0.15 0.11 -0.07 0.00 0.10 0.00 0.00 34.13 34.41 2j73 s GLU 105 CO 0.15 -0.06 1.78 0.21 0.02 0.00 0.00 175.26 177.36 2j73 s LYS 106 N -2.14 4.17 0.00 1.61 2.20 -1.26 -4.78 119.74 119.54 2j73 s LYS 106 Ca -0.09 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.90 2j73 s LYS 106 Cb -0.05 -4.04 0.10 0.00 -1.51 0.00 0.00 37.83 32.33 2j73 s LYS 106 CO -0.03 -0.88 0.59 -2.30 -0.36 0.00 0.00 175.35 172.36