#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqy n PRO 2 N 0.00 0.85 0.00 0.00 -0.02 -1.26 -4.93 135.00 129.64 1jqy n PRO 2 Ca 0.00 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 1jqy n PRO 2 Cb 0.00 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1jqy n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jqy n GLN 3 N -0.65 3.66 -4.02 -0.52 1.13 -1.26 -4.99 117.38 110.73 1jqy n GLN 3 Ca 0.13 -0.23 -0.08 0.00 -1.94 0.00 0.00 57.00 54.88 1jqy n GLN 3 Cb 0.46 -0.89 -0.09 0.00 0.11 0.00 0.00 30.24 29.83 1jqy n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jqy s THR 4 N -1.40 0.19 0.30 5.09 -4.23 -1.26 -5.04 115.64 109.29 1jqy s THR 4 Ca 0.04 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1jqy s THR 4 Cb 0.05 -1.52 0.12 0.00 1.34 0.00 0.00 72.50 72.50 1jqy s THR 4 CO 0.23 -0.84 1.81 -0.29 -0.54 0.00 0.00 174.62 174.99 1jqy h ILE 5 N 3.00 1.23 0.28 2.99 2.10 -1.96 -2.68 117.51 122.46 1jqy h ILE 5 Ca -0.34 -0.96 -0.01 0.00 1.08 0.00 0.00 64.86 64.63 1jqy h ILE 5 Cb 1.16 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1jqy h ILE 5 CO 0.62 0.32 -0.13 0.74 -1.08 0.00 0.00 178.15 178.62 1jqy h THR 6 N 0.53 0.73 -0.25 2.19 2.02 -1.99 -1.07 112.91 115.07 1jqy h THR 6 Ca 0.10 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1jqy h THR 6 Cb 0.45 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1jqy h THR 6 CO 0.02 0.01 -0.04 -0.08 0.37 0.00 0.00 175.52 175.80 1jqy h GLU 7 N -0.39 0.03 -0.30 6.66 4.81 -1.94 -2.65 114.58 120.79 1jqy h GLU 7 Ca -0.04 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1jqy h GLU 7 Cb 0.30 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1jqy h GLU 7 CO 0.06 0.02 -0.04 1.25 -0.73 0.00 0.00 179.01 179.57 1jqy h LEU 8 N 0.03 -0.21 -1.47 1.64 6.46 -1.41 -2.19 115.31 118.16 1jqy h LEU 8 Ca 0.12 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.00 1jqy h LEU 8 Cb 0.17 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1jqy h LEU 8 CO -0.24 -0.07 0.40 0.00 -0.62 0.00 0.00 178.44 177.92 1jqy n SER 10 N -4.47 0.45 -0.03 0.00 3.41 -0.83 -2.67 113.62 109.49 1jqy n SER 10 Ca 0.08 0.60 0.15 0.00 -0.26 0.00 0.00 58.87 59.43 1jqy n SER 10 Cb 0.16 -0.70 0.70 0.00 -0.26 0.00 0.00 64.21 64.11 1jqy n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jqy n GLU 11 N -1.98 0.45 -4.38 4.33 1.02 -0.91 -4.85 120.64 114.31 1jqy n GLU 11 Ca 0.03 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 1jqy n GLU 11 Cb 0.24 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1jqy n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jqy s TYR 12 N -2.59 2.34 0.27 -0.32 2.02 -1.09 -5.13 117.35 112.85 1jqy s TYR 12 Ca 0.27 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 1jqy s TYR 12 Cb 0.20 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.44 1jqy s TYR 12 CO 0.48 0.35 0.57 1.03 -1.57 0.00 0.00 175.55 176.41 1jqy s ARG 13 N -2.09 3.73 -0.97 -0.62 0.52 -1.26 -4.25 118.95 114.01 1jqy s ARG 13 Ca 0.15 0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.53 1jqy s ARG 13 Cb -0.10 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1jqy s ARG 13 CO 0.07 0.24 0.30 0.09 0.02 0.00 0.00 175.30 176.02 1jqy n ASN 14 N -0.55 -4.24 -4.59 0.23 5.03 -1.26 -4.99 115.26 104.88 1jqy n ASN 14 Ca -0.00 -0.14 -0.24 0.00 0.87 0.00 0.00 54.58 55.06 1jqy n ASN 14 Cb 0.53 -3.18 -0.08 0.00 -1.02 0.00 0.00 39.78 36.02 1jqy n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jqy s THR 15 N -2.86 3.22 -0.21 3.41 -4.23 -1.26 -2.44 115.64 111.27 1jqy s THR 15 Ca 0.15 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 1jqy s THR 15 Cb -0.06 -2.68 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1jqy s THR 15 CO 0.18 -0.30 0.53 0.00 -0.54 0.00 0.00 174.62 174.50 1jqy s GLN 16 N -3.39 0.59 -0.18 3.99 -2.07 -0.96 -4.94 119.66 112.72 1jqy s GLN 16 Ca 0.29 0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 54.38 1jqy s GLN 16 Cb -0.07 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1jqy s GLN 16 CO 0.18 -0.10 0.94 0.42 -1.32 0.00 0.00 175.29 175.41 1jqy s ILE 17 N 0.68 4.79 -0.22 3.63 -1.09 -1.26 -1.89 121.20 125.84 1jqy s ILE 17 Ca -0.03 1.86 -0.07 0.00 -2.23 0.00 0.00 60.65 60.18 1jqy s ILE 17 Cb -0.05 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 1jqy s ILE 17 CO -0.05 -0.05 0.04 -0.31 -1.23 0.00 0.00 174.94 173.35 1jqy s TYR 18 N 2.48 3.10 -0.48 3.97 1.51 0.82 -4.96 117.35 123.79 1jqy s TYR 18 Ca 0.42 -0.32 -0.24 0.00 -1.01 0.00 0.00 57.07 55.92 1jqy s TYR 18 Cb -0.16 -2.15 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1jqy s TYR 18 CO 0.12 -0.21 0.89 0.99 -1.11 0.00 0.00 175.55 176.23 1jqy s THR 19 N 1.14 4.51 -0.21 -0.71 2.01 -1.26 -0.82 115.64 120.30 1jqy s THR 19 Ca 0.04 0.54 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 1jqy s THR 19 Cb -0.14 -4.42 -0.20 0.00 0.01 0.00 0.00 72.50 67.74 1jqy s THR 19 CO 0.03 -0.86 -0.02 -0.38 -0.69 0.00 0.00 174.62 172.70 1jqy n ILE 20 N 6.29 1.59 -3.97 1.82 2.08 -0.04 -4.99 119.36 122.15 1jqy n ILE 20 Ca 0.04 -0.55 -0.29 0.00 0.56 0.00 0.00 62.75 62.51 1jqy n ILE 20 Cb 0.48 -1.60 -0.05 0.00 -0.75 0.00 0.00 39.64 37.72 1jqy n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1jqy n ASN 21 N -3.49 -0.57 -3.61 4.38 5.15 -0.92 -4.84 115.26 111.35 1jqy n ASN 21 Ca -0.41 -1.02 -0.03 0.00 -0.60 0.00 0.00 54.58 52.51 1jqy n ASN 21 Cb 0.98 -1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 38.96 1jqy n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jqy s ASP 22 N -4.01 -0.16 0.44 1.20 2.15 -0.73 -4.95 116.67 110.61 1jqy s ASP 22 Ca 0.13 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 52.97 1jqy s ASP 22 Cb -0.07 0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.78 1jqy s ASP 22 CO 0.79 -0.45 0.70 -1.59 -0.17 0.00 0.00 175.17 174.45 1jqy s LYS 23 N -2.71 3.39 -0.00 4.34 -2.85 -1.26 -1.45 119.74 119.20 1jqy s LYS 23 Ca 0.11 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 1jqy s LYS 23 Cb 0.01 -2.49 -0.03 0.00 -2.06 0.00 0.00 37.83 33.26 1jqy s LYS 23 CO -0.04 -0.15 1.03 0.42 0.10 0.00 0.00 175.35 176.72 1jqy s ILE 24 N -2.60 4.68 -0.10 3.79 1.01 -1.26 -4.69 121.20 122.03 1jqy s ILE 24 Ca 0.46 1.93 -0.25 0.00 0.00 0.00 0.00 60.65 62.79 1jqy s ILE 24 Cb -0.10 -4.24 -0.28 0.00 0.01 0.00 0.00 42.46 37.86 1jqy s ILE 24 CO 0.41 0.13 0.78 0.25 0.00 0.00 0.00 174.94 176.50 1jqy h LEU 25 N 6.99 0.21 -8.03 2.97 5.85 -1.47 -3.47 115.31 118.35 1jqy h LEU 25 Ca -0.40 -0.95 -0.16 0.00 0.84 0.00 0.00 57.88 57.22 1jqy h LEU 25 Cb 1.21 -0.07 -0.19 0.00 0.37 0.00 0.00 40.66 41.98 1jqy h LEU 25 CO 0.78 1.23 -0.68 -0.94 -0.34 0.00 0.00 178.44 178.48 1jqy s SER 26 N -6.61 0.29 -0.10 1.25 1.04 -0.86 -4.98 113.70 103.74 1jqy s SER 26 Ca -0.17 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.64 1jqy s SER 26 Cb -0.00 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1jqy s SER 26 CO 0.75 -0.38 -0.06 -0.47 0.98 0.00 0.00 173.24 174.05 1jqy s TYR 27 N -2.11 1.29 -0.03 5.02 5.04 -1.26 -2.11 117.35 123.19 1jqy s TYR 27 Ca -0.10 -0.59 0.05 0.00 -2.44 0.00 0.00 57.07 54.00 1jqy s TYR 27 Cb -0.05 -1.11 -0.01 0.00 0.35 0.00 0.00 41.96 41.14 1jqy s TYR 27 CO -0.03 -0.44 -0.18 0.99 -1.34 0.00 0.00 175.55 174.55 1jqy s THR 28 N 1.63 1.46 -0.01 4.34 2.01 -0.10 -4.99 115.64 119.99 1jqy s THR 28 Ca 0.03 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1jqy s THR 28 Cb -0.13 -1.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1jqy s THR 28 CO -0.06 0.42 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.53 1jqy s GLU 29 N -0.18 0.45 -0.05 4.92 2.12 -1.26 -1.15 118.70 123.54 1jqy s GLU 29 Ca 0.01 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1jqy s GLU 29 Cb -0.10 -0.44 0.01 0.00 0.26 0.00 0.00 34.13 33.86 1jqy s GLU 29 CO 0.01 0.10 -0.12 0.45 -0.54 0.00 0.00 175.26 175.16 1jqy s SER 30 N -0.04 1.63 -0.30 -1.70 0.15 -0.02 -4.99 113.70 108.44 1jqy s SER 30 Ca 0.01 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1jqy s SER 30 Cb -0.03 -0.58 0.53 0.00 -1.71 0.00 0.00 66.02 64.23 1jqy s SER 30 CO -0.00 0.07 1.52 1.15 1.20 0.00 0.00 173.24 177.18 1jqy n MET 31 N 3.50 2.04 -3.03 5.44 0.00 -1.26 -2.74 117.12 121.06 1jqy n MET 31 Ca -0.20 -3.13 -0.39 0.00 0.00 0.00 0.00 57.70 53.97 1jqy n MET 31 Cb 0.53 -1.87 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 1jqy n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jqy s ALA 32 N -3.21 3.45 -0.45 3.17 0.00 -1.26 -4.92 121.76 118.54 1jqy s ALA 32 Ca 0.46 0.28 -0.42 0.00 0.00 0.00 0.00 51.96 52.28 1jqy s ALA 32 Cb 0.41 -2.91 -0.17 0.00 0.00 0.00 0.00 23.12 20.45 1jqy s ALA 32 CO 0.02 0.24 2.06 0.41 0.00 0.00 0.00 175.76 178.50 1jqy n GLY 33 N 1.87 0.09 2.77 0.00 0.00 -1.26 0.86 105.19 109.53 1jqy n GLY 33 Ca -0.06 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.02 1jqy n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jqy n LYS 34 N 7.12 -0.14 -2.56 1.61 5.02 -1.26 -4.84 118.16 123.11 1jqy n LYS 34 Ca 0.47 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.66 1jqy n LYS 34 Cb 0.03 -3.05 0.02 0.00 -0.02 0.00 0.00 35.03 32.01 1jqy n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jqy n ARG 35 N -2.12 2.19 -2.79 1.97 5.12 0.25 -4.94 116.66 116.34 1jqy n ARG 35 Ca 0.00 -3.76 -0.43 0.00 -1.93 0.00 0.00 57.85 51.73 1jqy n ARG 35 Cb 0.04 -1.72 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 1jqy n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1jqy s GLU 36 N -3.42 3.61 0.31 5.56 8.01 -1.17 -4.03 118.70 127.56 1jqy s GLU 36 Ca 0.36 -1.54 -0.07 0.00 0.01 0.00 0.00 54.97 53.73 1jqy s GLU 36 Cb 0.41 -5.09 0.00 0.00 -4.31 0.00 0.00 34.13 25.15 1jqy s GLU 36 CO -0.04 -1.94 0.48 0.00 0.01 0.00 0.00 175.26 173.78 1jqy s MET 37 N 3.52 1.77 -0.02 1.61 0.23 -1.11 -4.16 119.30 121.15 1jqy s MET 37 Ca 0.38 -1.55 0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1jqy s MET 37 Cb -0.03 0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1jqy s MET 37 CO -0.09 -0.74 -0.08 0.08 -2.03 0.00 0.00 175.02 172.15 1jqy s VAL 38 N -3.38 0.68 -0.04 5.16 1.01 -1.23 -0.83 120.40 121.75 1jqy s VAL 38 Ca 0.27 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1jqy s VAL 38 Cb -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1jqy s VAL 38 CO 0.15 0.21 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 1jqy s ILE 39 N 0.03 1.28 -0.02 2.22 1.01 -0.30 -1.74 121.20 123.67 1jqy s ILE 39 Ca -0.00 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1jqy s ILE 39 Cb -0.06 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1jqy s ILE 39 CO -0.00 0.37 -0.19 0.27 0.00 0.00 0.00 174.94 175.39 1jqy s ILE 40 N 0.07 1.55 0.23 2.92 -4.36 0.05 -0.92 121.20 120.73 1jqy s ILE 40 Ca -0.03 -0.83 0.11 0.00 -0.26 0.00 0.00 60.65 59.64 1jqy s ILE 40 Cb -0.11 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.26 1jqy s ILE 40 CO 0.02 0.44 -0.15 0.42 0.24 0.00 0.00 174.94 175.90 1jqy s THR 41 N -0.35 2.77 0.53 8.37 -4.23 -0.90 -0.06 115.64 121.77 1jqy s THR 41 Ca 0.05 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1jqy s THR 41 Cb -0.09 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1jqy s THR 41 CO -0.00 -0.26 0.17 -0.36 -0.54 0.00 0.00 174.62 173.63 1jqy s PHE 42 N -2.07 1.76 -0.72 3.99 0.08 -0.74 -1.24 117.98 119.04 1jqy s PHE 42 Ca 0.27 -0.91 0.26 0.00 0.12 0.00 0.00 56.93 56.66 1jqy s PHE 42 Cb -0.07 -1.73 0.83 0.00 -0.57 0.00 0.00 43.02 41.48 1jqy s PHE 42 CO 0.14 -0.07 1.78 0.36 -0.10 0.00 0.00 175.22 177.34 1jqy n LYS 43 N -1.48 0.25 0.11 0.44 2.85 -1.26 -2.90 118.16 116.17 1jqy n LYS 43 Ca -0.12 0.22 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 1jqy n LYS 43 Cb 0.66 -1.80 0.46 0.00 -0.65 0.00 0.00 35.03 33.70 1jqy n LYS 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1jqy n SER 44 N -2.24 0.56 0.00 -5.58 3.41 -1.26 -4.85 113.62 103.66 1jqy n SER 44 Ca 0.05 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1jqy n SER 44 Cb 0.42 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1jqy n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jqy n GLY 45 N 0.00 0.46 3.77 5.00 0.00 -1.14 -5.06 105.19 108.22 1jqy n GLY 45 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1jqy n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jqy s GLU 46 N -0.99 4.32 -0.05 1.61 0.41 -1.26 -4.83 118.70 117.90 1jqy s GLU 46 Ca 0.00 1.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.35 1jqy s GLU 46 Cb 0.00 -2.84 -0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1jqy s GLU 46 CO 0.00 -0.06 -0.20 0.99 -0.49 0.00 0.00 175.26 175.50 1jqy s THR 47 N -1.38 1.64 0.12 3.63 2.01 -1.26 -1.79 115.64 118.60 1jqy s THR 47 Ca 0.52 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 1jqy s THR 47 Cb -0.29 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1jqy s THR 47 CO 0.37 0.47 0.02 -0.36 -0.69 0.00 0.00 174.62 174.42 1jqy s PHE 48 N 0.03 0.87 0.05 4.92 0.40 0.91 -4.22 117.98 120.94 1jqy s PHE 48 Ca -0.05 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1jqy s PHE 48 Cb -0.13 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 1jqy s PHE 48 CO 0.03 -0.39 -0.04 1.14 0.70 0.00 0.00 175.22 176.66 1jqy s GLN 49 N -3.97 0.58 -0.26 0.44 -2.07 -0.77 -0.77 119.66 112.83 1jqy s GLN 49 Ca 0.19 -1.06 -0.07 0.00 -1.82 0.00 0.00 55.36 52.60 1jqy s GLN 49 Cb 0.07 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 1jqy s GLN 49 CO -0.01 -0.06 0.08 0.08 -1.32 0.00 0.00 175.29 174.06 1jqy s VAL 50 N -3.05 4.29 0.65 3.63 1.01 -0.71 0.13 120.40 126.36 1jqy s VAL 50 Ca 0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1jqy s VAL 50 Cb 0.02 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1jqy s VAL 50 CO -0.06 0.27 1.20 -1.61 0.00 0.00 0.00 175.10 174.90 1jqy s GLU 51 N 1.60 2.64 0.05 2.72 2.02 -1.26 -3.58 118.70 122.89 1jqy s GLU 51 Ca 0.06 1.76 -0.32 0.00 0.02 0.00 0.00 54.97 56.49 1jqy s GLU 51 Cb -0.16 -1.89 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 1jqy s GLU 51 CO 0.04 -1.45 1.86 0.28 0.02 0.00 0.00 175.26 176.01 1jqy n VAL 52 N -2.10 0.50 -2.17 2.63 0.31 -1.26 -4.86 118.33 111.38 1jqy n VAL 52 Ca 0.13 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 1jqy n VAL 52 Cb 0.50 -2.06 -0.01 0.00 -0.91 0.00 0.00 33.84 31.36 1jqy n VAL 52 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jqy s PRO 53 N 3.37 4.05 0.00 5.55 0.04 -1.26 -4.96 135.00 141.78 1jqy s PRO 53 Ca 0.86 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1jqy s PRO 53 Cb -0.54 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1jqy s PRO 53 CO 0.42 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1jqy n GLY 54 N 0.69 2.77 0.30 0.56 0.00 -1.26 -5.06 105.19 103.19 1jqy n GLY 54 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1jqy n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jqy h SER 55 N 0.00 -0.80 0.00 1.61 4.64 -2.03 -3.01 113.55 113.96 1jqy h SER 55 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1jqy h SER 55 Cb 0.00 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1jqy h SER 55 CO 0.00 -0.35 0.01 0.00 -0.87 0.00 0.00 176.83 175.61 1jqy n GLN 56 N -5.39 0.00 -3.90 4.77 0.00 -1.26 -4.64 117.38 106.96 1jqy n GLN 56 Ca -0.06 0.06 -0.35 0.00 0.00 0.00 0.00 57.00 56.65 1jqy n GLN 56 Cb 0.30 -1.51 -0.14 0.00 0.00 0.00 0.00 30.24 28.90 1jqy n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1jqy s HIS 57 N -2.04 3.07 0.85 2.61 3.76 -1.14 -5.11 115.29 117.28 1jqy s HIS 57 Ca 0.00 -1.30 -0.11 0.00 -0.15 0.00 0.00 55.06 53.50 1jqy s HIS 57 Cb 0.00 -2.12 0.10 0.00 1.11 0.00 0.00 32.58 31.67 1jqy s HIS 57 CO 0.00 -0.66 1.09 0.96 -0.85 0.00 0.00 174.74 175.28 1jqy s ILE 58 N 1.40 2.92 0.24 0.60 -4.36 -1.26 -4.73 121.20 116.01 1jqy s ILE 58 Ca 0.02 0.30 -0.14 0.00 -0.26 0.00 0.00 60.65 60.57 1jqy s ILE 58 Cb -0.16 -2.76 0.31 0.00 1.25 0.00 0.00 42.46 41.10 1jqy s ILE 58 CO -0.02 -0.39 1.56 0.44 0.24 0.00 0.00 174.94 176.77 1jqy h ASP 59 N -1.39 -1.17 0.25 4.36 5.19 -1.97 0.28 116.42 121.96 1jqy h ASP 59 Ca -0.47 0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1jqy h ASP 59 Cb 1.26 0.67 -0.00 0.00 0.18 0.00 0.00 39.33 41.43 1jqy h ASP 59 CO 0.52 -0.30 -0.16 0.77 -3.12 0.00 0.00 179.24 176.95 1jqy h SER 60 N -0.02 0.00 1.03 6.45 4.64 -2.02 -2.45 113.55 121.19 1jqy h SER 60 Ca 0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 1jqy h SER 60 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1jqy h SER 60 CO -0.96 0.16 -0.62 1.56 -0.87 0.00 0.00 176.83 176.10 1jqy h GLN 61 N 0.00 0.00 -0.49 4.77 4.20 -1.27 -3.08 115.11 119.23 1jqy h GLN 61 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1jqy h GLN 61 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1jqy h GLN 61 CO 0.02 0.62 0.12 0.87 -0.67 0.00 0.00 178.83 179.79 1jqy h LYS 62 N 0.00 0.79 -0.04 1.46 6.56 -1.12 -0.57 116.57 123.65 1jqy h LYS 62 Ca -0.01 -0.19 -0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1jqy h LYS 62 Cb 1.30 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1jqy h LYS 62 CO 0.08 0.77 0.03 -0.22 -2.06 0.00 0.00 179.45 178.04 1jqy h LYS 63 N 0.68 0.06 -0.32 3.15 3.64 -1.63 -2.61 116.57 119.55 1jqy h LYS 63 Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1jqy h LYS 63 Cb 0.33 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1jqy h LYS 63 CO 0.00 0.09 0.15 0.00 -2.27 0.00 0.00 179.45 177.41 1jqy h ALA 64 N 0.97 1.67 -0.31 5.00 0.00 -1.43 -1.96 119.26 123.20 1jqy h ALA 64 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1jqy h ALA 64 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jqy h ALA 64 CO -0.00 0.27 0.16 0.82 0.00 0.00 0.00 179.25 180.50 1jqy h ILE 65 N 0.44 1.01 -0.73 0.00 2.04 -0.91 0.26 117.51 119.61 1jqy h ILE 65 Ca 0.11 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1jqy h ILE 65 Cb 0.06 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1jqy h ILE 65 CO -0.02 0.06 0.23 -0.33 0.00 0.00 0.00 178.15 178.10 1jqy h GLU 66 N 0.34 1.12 -0.65 2.37 4.39 -0.98 -1.98 114.58 119.19 1jqy h GLU 66 Ca 0.12 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1jqy h GLU 66 Cb 0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1jqy h GLU 66 CO -0.08 0.95 0.07 -0.09 -1.16 0.00 0.00 179.01 178.70 1jqy h ARG 67 N 1.08 1.10 -0.62 2.33 2.43 -1.18 -2.12 114.38 117.40 1jqy h ARG 67 Ca 0.24 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1jqy h ARG 67 Cb 0.29 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1jqy h ARG 67 CO -0.01 1.02 0.04 1.98 -1.51 0.00 0.00 179.97 181.50 1jqy h MET 68 N 1.02 1.06 -0.09 0.20 4.05 -0.31 -0.10 114.93 120.75 1jqy h MET 68 Ca 0.19 -0.31 -0.06 0.00 -0.28 0.00 0.00 59.70 59.24 1jqy h MET 68 Cb 0.48 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1jqy h MET 68 CO 0.02 1.01 -0.24 0.87 0.23 0.00 0.00 176.91 178.79 1jqy h LYS 69 N 0.98 0.15 -0.46 0.39 1.57 -1.27 -2.02 116.57 115.91 1jqy h LYS 69 Ca 0.18 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1jqy h LYS 69 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1jqy h LYS 69 CO 0.02 0.39 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.62 1jqy h ASP 70 N 0.14 1.00 -0.46 0.86 3.32 -0.68 -2.16 116.42 118.44 1jqy h ASP 70 Ca 0.02 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1jqy h ASP 70 Cb 0.51 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1jqy h ASP 70 CO 0.04 1.19 0.14 0.74 -1.72 0.00 0.00 179.24 179.63 1jqy h THR 71 N 0.82 1.23 -0.35 0.35 2.02 -0.65 -2.41 112.91 113.91 1jqy h THR 71 Ca 0.10 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1jqy h THR 71 Cb 0.82 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1jqy h THR 71 CO 0.07 0.27 0.19 -0.07 0.37 0.00 0.00 175.52 176.35 1jqy h LEU 72 N 0.61 0.44 -0.96 2.58 3.38 -1.28 -1.55 115.31 118.52 1jqy h LEU 72 Ca 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1jqy h LEU 72 Cb 0.27 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1jqy h LEU 72 CO -0.00 0.40 0.39 -0.09 0.09 0.00 0.00 178.44 179.22 1jqy h ARG 73 N 0.44 1.14 -0.01 1.13 2.43 -1.21 -1.16 114.38 117.13 1jqy h ARG 73 Ca 0.12 -0.16 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 1jqy h ARG 73 Cb 0.06 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1jqy h ARG 73 CO -0.02 0.87 -0.92 0.97 -1.51 0.00 0.00 179.97 179.36 1jqy h ILE 74 N 1.13 1.39 -0.44 1.20 6.09 -1.23 -1.12 117.51 124.52 1jqy h ILE 74 Ca 0.28 -2.39 -0.02 0.00 -1.37 0.00 0.00 64.86 61.36 1jqy h ILE 74 Cb 0.10 2.37 -0.02 0.00 0.47 0.00 0.00 36.82 39.73 1jqy h ILE 74 CO -0.04 0.72 0.18 0.74 -3.07 0.00 0.00 178.15 176.68 1jqy h THR 75 N 0.26 1.20 -0.44 2.19 2.02 -1.20 -0.32 112.91 116.61 1jqy h THR 75 Ca -0.08 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 1jqy h THR 75 Cb 1.55 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1jqy h THR 75 CO 0.16 0.23 -0.16 0.22 0.37 0.00 0.00 175.52 176.33 1jqy h TYR 76 N 0.58 0.93 0.00 3.16 3.20 -1.07 -1.78 116.97 121.99 1jqy h TYR 76 Ca 0.15 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1jqy h TYR 76 Cb 0.18 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1jqy h TYR 76 CO -0.00 0.93 -0.35 -0.07 -1.64 0.00 0.00 178.16 177.04 1jqy h LEU 77 N 0.74 0.00 -1.96 2.82 3.38 -0.86 -3.20 115.31 116.23 1jqy h LEU 77 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jqy h LEU 77 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1jqy h LEU 77 CO 0.05 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.28 1jqy n THR 78 N -3.37 0.05 -2.35 0.22 -2.24 -0.16 -4.97 114.28 101.46 1jqy n THR 78 Ca 0.01 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1jqy n THR 78 Cb 0.55 1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 70.22 1jqy n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jqy n GLU 79 N 1.36 -1.66 -2.51 -0.78 1.02 -0.71 -4.91 120.64 112.44 1jqy n GLU 79 Ca 0.14 1.03 -0.37 0.00 -0.02 0.00 0.00 57.16 57.95 1jqy n GLU 79 Cb 0.60 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.30 1jqy n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jqy s THR 80 N -3.03 3.64 -0.20 2.62 2.01 -0.95 -4.80 115.64 114.94 1jqy s THR 80 Ca 0.00 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 63.04 1jqy s THR 80 Cb 0.00 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1jqy s THR 80 CO 0.00 0.07 0.98 -0.75 -0.69 0.00 0.00 174.62 174.23 1jqy s LYS 81 N -2.33 4.29 -0.01 4.92 2.20 -1.26 -4.37 119.74 123.17 1jqy s LYS 81 Ca 0.56 1.28 -0.27 0.00 -0.36 0.00 0.00 55.97 57.18 1jqy s LYS 81 Cb -0.24 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 1jqy s LYS 81 CO 0.30 -0.51 0.85 0.42 -0.36 0.00 0.00 175.35 176.05 1jqy s ILE 82 N 2.78 4.90 0.00 5.43 1.01 -0.53 -4.12 121.20 130.67 1jqy s ILE 82 Ca 0.43 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.87 1jqy s ILE 82 Cb -0.16 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1jqy s ILE 82 CO 0.09 0.23 0.00 -0.67 0.00 0.00 0.00 174.94 174.59 1jqy n ASP 83 N 3.67 0.00 -4.67 3.58 2.03 0.18 -1.78 116.55 119.56 1jqy n ASP 83 Ca 0.02 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 1jqy n ASP 83 Cb 0.51 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 1jqy n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jqy s LYS 84 N 0.00 2.34 -0.04 -0.67 -0.14 -1.15 -0.86 119.74 119.22 1jqy s LYS 84 Ca 0.00 -1.42 0.02 0.00 -1.36 0.00 0.00 55.97 53.21 1jqy s LYS 84 Cb 0.00 -2.18 0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1jqy s LYS 84 CO 0.00 0.33 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.32 1jqy s LEU 85 N -3.71 1.61 -0.39 3.17 1.43 0.00 -1.96 118.68 118.83 1jqy s LEU 85 Ca 0.32 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1jqy s LEU 85 Cb -0.06 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.60 1jqy s LEU 85 CO 0.21 0.02 0.21 0.00 0.23 0.00 0.00 176.35 177.02 1jqy s VAL 87 N 1.46 3.29 -0.35 0.00 -7.23 -0.79 -1.56 120.40 115.23 1jqy s VAL 87 Ca 0.02 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1jqy s VAL 87 Cb -0.21 -2.66 -0.00 0.00 0.56 0.00 0.00 36.38 34.07 1jqy s VAL 87 CO 0.04 -0.17 0.56 0.26 -0.31 0.00 0.00 175.10 175.48 1jqy s TRP 88 N -1.85 3.17 -0.13 2.82 0.51 0.88 -2.26 118.94 122.09 1jqy s TRP 88 Ca 0.27 0.26 0.01 0.00 -2.12 0.00 0.00 56.10 54.51 1jqy s TRP 88 Cb -0.08 -3.00 0.15 0.00 -0.81 0.00 0.00 33.47 29.73 1jqy s TRP 88 CO 0.16 -0.57 1.45 0.27 -0.51 0.00 0.00 176.95 177.76 1jqy n ASN 89 N 5.85 3.98 -0.12 2.95 0.23 -1.02 -1.30 115.26 125.84 1jqy n ASN 89 Ca -0.03 -2.50 0.04 0.00 -0.53 0.00 0.00 54.58 51.56 1jqy n ASN 89 Cb 0.49 -0.73 0.06 0.00 -2.08 0.00 0.00 39.78 37.52 1jqy n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1jqy n ASN 90 N 0.32 1.61 -4.16 0.53 0.23 -1.26 -4.98 115.26 107.55 1jqy n ASN 90 Ca 0.15 -2.38 -0.16 0.00 -0.53 0.00 0.00 54.58 51.66 1jqy n ASN 90 Cb 0.72 -0.23 -0.11 0.00 -2.08 0.00 0.00 39.78 38.08 1jqy n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1jqy s LYS 91 N -1.57 0.80 -0.05 -3.83 -0.14 -1.24 -5.08 119.74 108.62 1jqy s LYS 91 Ca 0.14 -1.03 -0.02 0.00 -1.36 0.00 0.00 55.97 53.71 1jqy s LYS 91 Cb 0.13 -0.62 0.03 0.00 -1.68 0.00 0.00 37.83 35.68 1jqy s LYS 91 CO 0.01 0.12 0.04 0.99 -0.76 0.00 0.00 175.35 175.75 1jqy s THR 92 N -1.84 0.04 0.88 2.17 2.01 -1.26 -2.72 115.64 114.92 1jqy s THR 92 Ca 0.01 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1jqy s THR 92 Cb -0.07 -0.28 0.12 0.00 0.01 0.00 0.00 72.50 72.28 1jqy s THR 92 CO 0.01 0.19 1.10 -2.84 -0.69 0.00 0.00 174.62 172.39 1jqy s PRO 93 N 2.11 1.37 0.62 4.92 0.02 -1.26 -5.08 135.00 137.71 1jqy s PRO 93 Ca 0.05 1.15 -0.18 0.00 0.02 0.00 0.00 61.00 62.04 1jqy s PRO 93 Cb -0.12 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 1jqy s PRO 93 CO -0.04 -2.26 0.69 0.09 -0.33 0.00 0.00 177.00 175.16 1jqy n ASN 94 N -3.94 -0.40 -4.67 2.53 5.03 -1.10 -4.58 115.26 108.13 1jqy n ASN 94 Ca 0.09 0.72 -0.35 0.00 0.87 0.00 0.00 54.58 55.91 1jqy n ASN 94 Cb 0.53 -1.27 -0.10 0.00 -1.02 0.00 0.00 39.78 37.93 1jqy n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1jqy s SER 95 N -1.30 5.41 0.19 6.41 0.15 -0.42 -1.84 113.70 122.30 1jqy s SER 95 Ca 0.71 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 57.19 1jqy s SER 95 Cb -0.41 -1.72 -0.08 0.00 -1.71 0.00 0.00 66.02 62.11 1jqy s SER 95 CO 0.52 0.30 1.18 -0.63 1.20 0.00 0.00 173.24 175.80 1jqy s ILE 96 N -0.39 3.62 -0.18 6.45 1.01 0.36 -0.08 121.20 131.98 1jqy s ILE 96 Ca 0.08 1.38 -0.09 0.00 0.00 0.00 0.00 60.65 62.02 1jqy s ILE 96 Cb -0.12 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 1jqy s ILE 96 CO 0.02 0.23 -0.24 0.00 0.00 0.00 0.00 174.94 174.95 1jqy n ALA 97 N 2.42 1.80 -2.55 9.38 0.00 -0.60 -4.82 120.51 126.14 1jqy n ALA 97 Ca 0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 1jqy n ALA 97 Cb 0.45 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 1jqy n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqy s ALA 98 N -2.34 -0.15 0.01 0.00 0.00 -1.09 -5.00 121.76 113.19 1jqy s ALA 98 Ca -0.26 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1jqy s ALA 98 Cb 0.10 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1jqy s ALA 98 CO 0.32 -0.46 -0.02 -1.50 0.00 0.00 0.00 175.76 174.10 1jqy s ILE 99 N -3.64 0.11 0.02 0.00 2.07 -1.26 -1.48 121.20 117.03 1jqy s ILE 99 Ca 0.03 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1jqy s ILE 99 Cb 0.04 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1jqy s ILE 99 CO -0.10 -0.27 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.66 1jqy s SER 100 N -0.85 0.67 -0.05 4.50 1.04 -0.83 -4.98 113.70 113.20 1jqy s SER 100 Ca -0.09 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1jqy s SER 100 Cb -0.06 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1jqy s SER 100 CO -0.00 -0.08 0.11 -0.04 0.98 0.00 0.00 173.24 174.21 1jqy s MET 101 N -0.87 0.05 0.02 4.02 -1.94 -1.26 0.48 119.30 119.79 1jqy s MET 101 Ca -0.05 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1jqy s MET 101 Cb -0.06 -0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.55 1jqy s MET 101 CO 0.00 -0.19 -0.03 -1.59 -0.01 0.00 0.00 175.02 173.21 1jqy s LYS 102 N 1.29 0.25 0.00 2.03 -2.85 -1.26 -4.90 119.74 114.30 1jqy s LYS 102 Ca -0.08 -0.47 0.25 0.00 -1.00 0.00 0.00 55.97 54.68 1jqy s LYS 102 Cb -0.12 0.06 0.42 0.00 -2.06 0.00 0.00 37.83 36.13 1jqy s LYS 102 CO -0.05 -0.03 1.39 0.09 0.10 0.00 0.00 175.35 176.85