#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lt6 n PRO 2 N 0.00 -2.24 0.00 0.00 -0.02 -1.26 -4.96 135.00 126.52 1lt6 n PRO 2 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1lt6 n PRO 2 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1lt6 n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lt6 n GLN 3 N -4.51 2.10 -3.77 -0.52 6.02 -1.26 -5.03 117.38 110.41 1lt6 n GLN 3 Ca 0.03 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.75 1lt6 n GLN 3 Cb 0.55 -0.53 -0.10 0.00 1.02 0.00 0.00 30.24 31.18 1lt6 n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lt6 s THR 4 N -0.34 0.03 0.24 5.09 2.01 -1.26 -5.06 115.64 116.35 1lt6 s THR 4 Ca 0.00 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 1lt6 s THR 4 Cb 0.00 -0.53 0.21 0.00 0.01 0.00 0.00 72.50 72.19 1lt6 s THR 4 CO 0.00 -0.16 1.72 -0.29 -0.69 0.00 0.00 174.62 175.20 1lt6 h ILE 5 N 4.24 0.62 -0.18 1.82 2.10 -1.97 -0.87 117.51 123.27 1lt6 h ILE 5 Ca -0.28 -0.13 0.04 0.00 1.08 0.00 0.00 64.86 65.57 1lt6 h ILE 5 Cb 1.18 0.22 -0.04 0.00 -1.09 0.00 0.00 36.82 37.10 1lt6 h ILE 5 CO 0.36 0.07 -0.05 0.74 -1.08 0.00 0.00 178.15 178.19 1lt6 h THR 6 N 0.37 0.80 -0.58 2.19 2.02 -1.98 0.38 112.91 116.10 1lt6 h THR 6 Ca 0.39 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.62 1lt6 h THR 6 Cb 0.61 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1lt6 h THR 6 CO -0.42 0.00 0.31 -0.08 0.37 0.00 0.00 175.52 175.70 1lt6 h GLU 7 N -0.01 0.57 -0.59 6.66 4.81 -1.76 -1.19 114.58 123.07 1lt6 h GLU 7 Ca 0.09 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1lt6 h GLU 7 Cb 0.15 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1lt6 h GLU 7 CO -0.19 0.38 0.30 1.25 -0.73 0.00 0.00 179.01 180.01 1lt6 h LEU 8 N 0.59 0.75 -1.21 1.64 7.12 -0.44 -2.80 115.31 120.96 1lt6 h LEU 8 Ca 0.26 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1lt6 h LEU 8 Cb 0.16 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 1lt6 h LEU 8 CO -0.17 0.65 0.49 0.00 -0.13 0.00 0.00 178.44 179.28 1lt6 h SER 10 N 1.05 0.00 0.23 0.00 0.02 -0.97 -2.62 113.55 111.25 1lt6 h SER 10 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1lt6 h SER 10 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1lt6 h SER 10 CO -0.06 0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 175.10 1lt6 n GLU 11 N -3.95 0.08 -4.31 3.45 1.02 -0.92 -4.77 120.64 111.25 1lt6 n GLU 11 Ca -0.02 0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 57.33 1lt6 n GLU 11 Cb 0.18 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 1lt6 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lt6 s TYR 12 N -3.23 2.58 0.25 -0.32 2.02 -0.99 -5.12 117.35 112.54 1lt6 s TYR 12 Ca 0.01 -0.24 -0.16 0.00 -0.37 0.00 0.00 57.07 56.31 1lt6 s TYR 12 Cb 0.05 -1.27 -0.08 0.00 -0.40 0.00 0.00 41.96 40.26 1lt6 s TYR 12 CO 0.18 0.50 0.69 0.50 -1.57 0.00 0.00 175.55 175.85 1lt6 s ARG 13 N -2.76 4.08 -1.43 -0.62 3.52 -1.26 -4.19 118.95 116.28 1lt6 s ARG 13 Ca 0.24 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 1lt6 s ARG 13 Cb -0.09 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1lt6 s ARG 13 CO 0.14 0.30 0.00 0.09 -0.81 0.00 0.00 175.30 175.02 1lt6 n ASN 14 N 0.23 -4.94 -4.78 -2.12 3.02 -1.26 -5.01 115.26 100.39 1lt6 n ASN 14 Ca -0.00 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.29 1lt6 n ASN 14 Cb 0.52 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 1lt6 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1lt6 s THR 15 N -2.83 2.17 -0.29 3.41 -4.23 -1.26 -2.21 115.64 110.40 1lt6 s THR 15 Ca 0.00 -1.64 -0.23 0.00 -1.18 0.00 0.00 61.69 58.64 1lt6 s THR 15 Cb 0.00 -2.81 0.16 0.00 1.34 0.00 0.00 72.50 71.19 1lt6 s THR 15 CO 0.00 0.00 1.19 -1.58 -0.54 0.00 0.00 174.62 173.69 1lt6 s GLN 16 N -3.99 0.29 0.15 3.99 0.74 -0.60 -4.87 119.66 115.37 1lt6 s GLN 16 Ca 0.38 0.38 -0.18 0.00 0.05 0.00 0.00 55.36 55.99 1lt6 s GLN 16 Cb 0.02 0.13 -0.07 0.00 1.10 0.00 0.00 33.01 34.19 1lt6 s GLN 16 CO 0.22 -0.04 0.63 0.42 -0.55 0.00 0.00 175.29 175.96 1lt6 s ILE 17 N 0.36 4.70 -0.07 -2.34 -1.09 -1.26 -1.81 121.20 119.68 1lt6 s ILE 17 Ca 0.02 1.15 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1lt6 s ILE 17 Cb -0.05 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1lt6 s ILE 17 CO -0.11 0.35 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.50 1lt6 s TYR 18 N -1.35 1.59 -0.35 3.97 1.51 -0.46 -5.00 117.35 117.26 1lt6 s TYR 18 Ca 0.36 -0.58 -0.15 0.00 -1.01 0.00 0.00 57.07 55.70 1lt6 s TYR 18 Cb -0.18 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1lt6 s TYR 18 CO 0.20 -0.28 0.34 0.99 -1.11 0.00 0.00 175.55 175.70 1lt6 s THR 19 N 0.55 5.19 -0.16 -0.71 2.01 -1.26 -1.92 115.64 119.34 1lt6 s THR 19 Ca -0.14 -0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 1lt6 s THR 19 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1lt6 s THR 19 CO 0.04 -0.10 -0.25 -0.38 -0.69 0.00 0.00 174.62 173.24 1lt6 n ILE 20 N 5.23 1.42 -3.57 1.82 2.08 0.11 -5.01 119.36 121.44 1lt6 n ILE 20 Ca -0.10 0.19 -0.27 0.00 0.56 0.00 0.00 62.75 63.13 1lt6 n ILE 20 Cb 0.49 -2.35 0.05 0.00 -0.75 0.00 0.00 39.64 37.08 1lt6 n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lt6 n ASN 21 N -4.49 -5.71 -3.63 4.38 5.15 -0.06 -4.98 115.26 105.93 1lt6 n ASN 21 Ca -0.10 -0.93 -0.02 0.00 -0.60 0.00 0.00 54.58 52.93 1lt6 n ASN 21 Cb 0.38 -3.85 -0.01 0.00 -0.53 0.00 0.00 39.78 35.76 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lt6 s ASP 22 N -3.44 -0.12 0.51 1.20 2.15 -0.88 -4.94 116.67 111.15 1lt6 s ASP 22 Ca 0.47 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 53.28 1lt6 s ASP 22 Cb -0.14 0.23 -0.01 0.00 -0.30 0.00 0.00 42.92 42.71 1lt6 s ASP 22 CO 0.83 -0.42 0.78 -1.59 -0.17 0.00 0.00 175.17 174.60 1lt6 s LYS 23 N -2.64 3.12 -0.03 4.34 -2.85 -1.26 -0.84 119.74 119.58 1lt6 s LYS 23 Ca 0.12 -0.14 -0.30 0.00 -1.00 0.00 0.00 55.97 54.65 1lt6 s LYS 23 Cb 0.02 -2.41 -0.04 0.00 -2.06 0.00 0.00 37.83 33.34 1lt6 s LYS 23 CO -0.03 -0.41 1.32 0.42 0.10 0.00 0.00 175.35 176.74 1lt6 s ILE 24 N -2.76 3.95 -0.06 3.79 1.01 -1.26 -4.75 121.20 121.12 1lt6 s ILE 24 Ca 0.50 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.19 1lt6 s ILE 24 Cb -0.10 -3.84 -0.22 0.00 0.01 0.00 0.00 42.46 38.31 1lt6 s ILE 24 CO 0.42 -0.01 1.07 0.25 0.00 0.00 0.00 174.94 176.68 1lt6 h LEU 25 N 8.35 -0.02 -8.22 2.97 5.85 -1.05 -3.47 115.31 119.73 1lt6 h LEU 25 Ca -0.36 -0.63 -0.27 0.00 0.84 0.00 0.00 57.88 57.46 1lt6 h LEU 25 Cb 1.17 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.00 1lt6 h LEU 25 CO 0.90 0.63 -0.73 -0.55 -0.34 0.00 0.00 178.44 178.35 1lt6 s SER 26 N -5.83 0.93 -0.08 1.25 0.15 -1.13 -5.00 113.70 103.99 1lt6 s SER 26 Ca -0.16 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 55.85 1lt6 s SER 26 Cb 0.00 0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1lt6 s SER 26 CO 0.66 -0.25 -0.05 -0.47 1.20 0.00 0.00 173.24 174.33 1lt6 s TYR 27 N -1.80 1.07 0.01 3.44 6.14 -1.26 -2.45 117.35 122.49 1lt6 s TYR 27 Ca -0.06 -0.42 0.08 0.00 0.64 0.00 0.00 57.07 57.31 1lt6 s TYR 27 Cb -0.07 -0.96 -0.03 0.00 0.42 0.00 0.00 41.96 41.33 1lt6 s TYR 27 CO -0.01 -0.36 -0.23 0.99 0.64 0.00 0.00 175.55 176.58 1lt6 s THR 28 N 1.49 2.32 -0.01 4.34 2.01 -0.44 -5.00 115.64 120.34 1lt6 s THR 28 Ca -0.01 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1lt6 s THR 28 Cb -0.13 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.52 1lt6 s THR 28 CO -0.04 0.48 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.66 1lt6 s GLU 29 N -0.94 0.21 -0.05 4.92 2.12 -1.26 -1.16 118.70 122.53 1lt6 s GLU 29 Ca 0.11 0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.48 1lt6 s GLU 29 Cb -0.10 -0.31 0.01 0.00 0.26 0.00 0.00 34.13 33.99 1lt6 s GLU 29 CO 0.01 -0.04 -0.13 0.45 -0.54 0.00 0.00 175.26 175.01 1lt6 s SER 30 N 0.48 1.76 -0.04 -1.70 0.15 -0.67 -5.00 113.70 108.69 1lt6 s SER 30 Ca -0.05 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.41 1lt6 s SER 30 Cb -0.07 -0.68 0.27 0.00 -1.71 0.00 0.00 66.02 63.83 1lt6 s SER 30 CO -0.01 0.07 1.21 1.15 1.20 0.00 0.00 173.24 176.86 1lt6 n MET 31 N 3.56 2.79 -2.45 5.44 0.00 -1.26 -2.51 117.12 122.69 1lt6 n MET 31 Ca -0.21 -2.09 -0.39 0.00 0.00 0.00 0.00 57.70 55.01 1lt6 n MET 31 Cb 0.52 -1.32 -0.04 0.00 0.00 0.00 0.00 33.22 32.39 1lt6 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lt6 s ALA 32 N -1.45 3.25 -0.38 3.17 0.00 -1.26 -4.85 121.76 120.23 1lt6 s ALA 32 Ca 0.21 0.85 -0.42 0.00 0.00 0.00 0.00 51.96 52.60 1lt6 s ALA 32 Cb 0.14 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.77 1lt6 s ALA 32 CO 0.10 -0.26 1.76 0.41 0.00 0.00 0.00 175.76 177.76 1lt6 n GLY 33 N 0.78 0.53 2.53 0.00 0.00 -1.26 -0.92 105.19 106.86 1lt6 n GLY 33 Ca 0.02 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1lt6 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lt6 n LYS 34 N 5.29 -0.85 -1.03 1.61 5.02 -1.26 -4.79 118.16 122.15 1lt6 n LYS 34 Ca 0.31 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.86 1lt6 n LYS 34 Cb 0.06 -3.88 0.09 0.00 -0.02 0.00 0.00 35.03 31.28 1lt6 n LYS 34 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lt6 n ARG 35 N -1.23 0.65 -2.17 1.97 3.00 -0.09 -4.96 116.66 113.82 1lt6 n ARG 35 Ca 0.00 -2.44 -0.30 0.00 -0.00 0.00 0.00 57.85 55.10 1lt6 n ARG 35 Cb 0.21 -0.71 -0.05 0.00 0.00 0.00 0.00 32.46 31.92 1lt6 n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lt6 s GLU 36 N -1.34 2.80 0.28 -0.14 8.01 -1.16 -4.52 118.70 122.62 1lt6 s GLU 36 Ca 0.33 -0.56 -0.06 0.00 0.01 0.00 0.00 54.97 54.68 1lt6 s GLU 36 Cb 0.35 -5.15 -0.01 0.00 -4.31 0.00 0.00 34.13 25.01 1lt6 s GLU 36 CO -0.11 -3.14 0.41 0.00 0.01 0.00 0.00 175.26 172.42 1lt6 s MET 37 N 6.48 1.62 -0.05 1.61 0.23 -1.05 -4.44 119.30 123.70 1lt6 s MET 37 Ca 0.64 -1.52 0.05 0.00 -1.03 0.00 0.00 55.69 53.83 1lt6 s MET 37 Cb -0.05 0.42 -0.00 0.00 -1.53 0.00 0.00 34.83 33.67 1lt6 s MET 37 CO -0.02 -0.65 -0.20 0.08 -2.03 0.00 0.00 175.02 172.20 1lt6 s VAL 38 N -3.67 1.68 -0.10 5.16 1.01 -1.23 -1.66 120.40 121.58 1lt6 s VAL 38 Ca 0.29 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1lt6 s VAL 38 Cb 0.01 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1lt6 s VAL 38 CO 0.14 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.91 1lt6 s ILE 39 N 0.02 1.62 0.22 2.22 1.01 -0.31 -1.76 121.20 124.22 1lt6 s ILE 39 Ca -0.05 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 59.95 1lt6 s ILE 39 Cb -0.13 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1lt6 s ILE 39 CO 0.03 0.46 -0.05 0.27 0.00 0.00 0.00 174.94 175.65 1lt6 s ILE 40 N 0.75 3.32 0.01 2.92 -4.36 0.44 -1.32 121.20 122.96 1lt6 s ILE 40 Ca -0.11 -1.76 -0.08 0.00 -0.26 0.00 0.00 60.65 58.44 1lt6 s ILE 40 Cb -0.16 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1lt6 s ILE 40 CO 0.02 -0.23 0.15 -0.89 0.24 0.00 0.00 174.94 174.23 1lt6 s THR 41 N -1.99 0.09 0.33 8.37 2.01 -1.03 -0.96 115.64 122.47 1lt6 s THR 41 Ca 0.28 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1lt6 s THR 41 Cb -0.08 -0.52 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 1lt6 s THR 41 CO 0.17 -0.40 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.31 1lt6 s PHE 42 N -1.59 2.20 0.44 4.92 0.08 -0.70 -0.38 117.98 122.95 1lt6 s PHE 42 Ca -0.13 -0.69 0.21 0.00 0.12 0.00 0.00 56.93 56.44 1lt6 s PHE 42 Cb -0.06 -1.37 1.25 0.00 -0.57 0.00 0.00 43.02 42.26 1lt6 s PHE 42 CO 0.01 0.34 2.04 1.57 -0.10 0.00 0.00 175.22 179.08 1lt6 h LYS 43 N 2.06 0.00 0.00 0.44 2.10 -1.90 -0.63 116.57 118.64 1lt6 h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1lt6 h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1lt6 h LYS 43 CO 0.72 0.15 0.00 -1.13 -2.00 0.00 0.00 179.45 177.19 1lt6 n SER 44 N -3.98 0.15 0.00 7.07 3.41 -1.26 -4.86 113.62 114.15 1lt6 n SER 44 Ca -0.02 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1lt6 n SER 44 Cb 0.24 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1lt6 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lt6 n GLY 45 N 0.09 0.85 3.68 5.00 0.00 -0.24 -5.05 105.19 109.52 1lt6 n GLY 45 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1lt6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lt6 s GLU 46 N -0.79 4.38 -0.09 1.61 0.41 -1.25 -4.85 118.70 118.10 1lt6 s GLU 46 Ca 0.00 1.47 0.01 0.00 -0.41 0.00 0.00 54.97 56.05 1lt6 s GLU 46 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1lt6 s GLU 46 CO 0.00 -0.40 -0.13 0.99 -0.49 0.00 0.00 175.26 175.23 1lt6 s THR 47 N 2.27 3.11 0.07 3.63 2.01 -1.26 -1.72 115.64 123.75 1lt6 s THR 47 Ca 0.50 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1lt6 s THR 47 Cb -0.20 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1lt6 s THR 47 CO 0.17 0.55 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.22 1lt6 s PHE 48 N -0.16 0.82 0.30 4.92 0.08 -0.13 -4.10 117.98 119.71 1lt6 s PHE 48 Ca -0.00 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.40 1lt6 s PHE 48 Cb -0.13 -0.48 -0.06 0.00 -0.57 0.00 0.00 43.02 41.78 1lt6 s PHE 48 CO 0.03 -0.10 0.05 1.14 -0.10 0.00 0.00 175.22 176.25 1lt6 s GLN 49 N -2.64 1.58 -0.23 0.44 -2.07 -0.74 -0.42 119.66 115.58 1lt6 s GLN 49 Ca 0.01 -1.86 0.02 0.00 -1.82 0.00 0.00 55.36 51.70 1lt6 s GLN 49 Cb -0.03 -0.76 0.05 0.00 -1.09 0.00 0.00 33.01 31.18 1lt6 s GLN 49 CO -0.02 -0.18 -0.11 0.08 -1.32 0.00 0.00 175.29 173.74 1lt6 s VAL 50 N -3.37 1.88 0.86 3.63 1.01 -0.72 -1.08 120.40 122.61 1lt6 s VAL 50 Ca 0.36 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1lt6 s VAL 50 Cb 0.08 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.59 1lt6 s VAL 50 CO 0.14 0.07 1.11 -0.62 0.00 0.00 0.00 175.10 175.81 1lt6 n GLU 51 N 4.57 -0.12 -2.36 2.72 1.02 -1.26 -3.56 120.64 121.65 1lt6 n GLU 51 Ca -0.15 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 1lt6 n GLU 51 Cb 0.45 -2.36 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 1lt6 n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lt6 s VAL 52 N -2.35 3.25 0.05 2.62 1.01 -1.26 -4.91 120.40 118.80 1lt6 s VAL 52 Ca 0.70 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 63.59 1lt6 s VAL 52 Cb -0.26 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1lt6 s VAL 52 CO 0.55 0.27 1.93 -2.65 0.00 0.00 0.00 175.10 175.20 1lt6 n PRO 53 N 0.94 2.76 -1.89 2.72 -0.02 -1.26 -4.93 135.00 133.32 1lt6 n PRO 53 Ca -0.00 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1lt6 n PRO 53 Cb 0.44 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1lt6 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lt6 n GLY 54 N 4.44 4.16 0.32 -1.23 0.00 -1.26 -5.02 105.19 106.60 1lt6 n GLY 54 Ca 0.20 -1.77 0.21 0.00 0.00 0.00 0.00 46.02 44.65 1lt6 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lt6 h SER 55 N 0.00 0.00 0.82 1.61 4.64 -2.03 -2.09 113.55 116.50 1lt6 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lt6 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lt6 h SER 55 CO 0.00 0.01 0.00 0.06 -0.87 0.00 0.00 176.83 176.03 1lt6 h GLN 56 N 0.00 0.00 -5.96 4.77 -0.00 -1.95 -3.44 115.11 108.53 1lt6 h GLN 56 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1lt6 h GLN 56 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.61 1lt6 h GLN 56 CO 0.00 0.00 -0.39 -1.01 -0.00 0.00 0.00 178.83 177.43 1lt6 s HIS 57 N -3.54 3.55 0.50 0.06 3.76 -0.79 -5.11 115.29 113.72 1lt6 s HIS 57 Ca 0.02 0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1lt6 s HIS 57 Cb 0.09 -1.95 -0.00 0.00 1.11 0.00 0.00 32.58 31.83 1lt6 s HIS 57 CO 0.46 0.57 0.76 0.96 -0.85 0.00 0.00 174.74 176.64 1lt6 s ILE 58 N -1.41 3.92 0.26 0.60 -4.36 -1.26 -4.93 121.20 114.02 1lt6 s ILE 58 Ca 0.32 -0.29 -0.03 0.00 -0.26 0.00 0.00 60.65 60.39 1lt6 s ILE 58 Cb -0.13 -3.49 0.23 0.00 1.25 0.00 0.00 42.46 40.33 1lt6 s ILE 58 CO 0.20 -0.40 1.82 0.44 0.24 0.00 0.00 174.94 177.23 1lt6 h ASP 59 N 0.19 0.75 0.57 4.36 5.19 -1.99 -1.39 116.42 124.10 1lt6 h ASP 59 Ca -0.46 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1lt6 h ASP 59 Cb 1.25 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1lt6 h ASP 59 CO 0.59 0.42 -0.06 0.77 -3.12 0.00 0.00 179.24 177.84 1lt6 h SER 60 N 0.86 0.00 0.94 6.45 4.64 -2.04 -2.57 113.55 121.83 1lt6 h SER 60 Ca 0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.61 1lt6 h SER 60 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1lt6 h SER 60 CO -0.25 0.06 -0.62 1.56 -0.87 0.00 0.00 176.83 176.71 1lt6 h GLN 61 N 0.00 0.00 -0.38 4.77 4.20 -1.64 -3.34 115.11 118.72 1lt6 h GLN 61 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1lt6 h GLN 61 Cb 0.36 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1lt6 h GLN 61 CO 0.01 0.62 -0.10 0.87 -0.67 0.00 0.00 178.83 179.56 1lt6 h LYS 62 N 0.00 -0.01 -0.23 1.46 1.79 -1.39 -0.70 116.57 117.49 1lt6 h LYS 62 Ca -0.01 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1lt6 h LYS 62 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1lt6 h LYS 62 CO 0.08 -0.01 -0.42 0.87 -1.08 0.00 0.00 179.45 178.89 1lt6 h LYS 63 N -0.01 0.56 0.00 3.15 1.79 -1.73 -2.93 116.57 117.39 1lt6 h LYS 63 Ca 0.19 -0.29 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 1lt6 h LYS 63 Cb 0.29 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1lt6 h LYS 63 CO -0.40 0.88 -0.26 0.00 -1.08 0.00 0.00 179.45 178.58 1lt6 h ALA 64 N 1.08 1.24 -0.32 3.86 0.00 -1.53 -2.50 119.26 121.10 1lt6 h ALA 64 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1lt6 h ALA 64 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1lt6 h ALA 64 CO 0.08 0.33 -0.06 0.82 0.00 0.00 0.00 179.25 180.43 1lt6 h ILE 65 N 0.00 1.28 -0.59 0.00 2.04 -0.96 -0.10 117.51 119.17 1lt6 h ILE 65 Ca -0.00 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.78 1lt6 h ILE 65 Cb 0.59 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1lt6 h ILE 65 CO 0.03 0.35 0.39 -0.33 0.00 0.00 0.00 178.15 178.59 1lt6 h GLU 66 N 0.38 0.77 -0.42 2.37 4.39 -1.44 -0.95 114.58 119.68 1lt6 h GLU 66 Ca 0.08 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1lt6 h GLU 66 Cb 0.54 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1lt6 h GLU 66 CO 0.03 0.51 0.01 -0.09 -1.16 0.00 0.00 179.01 178.31 1lt6 h ARG 67 N 0.79 0.67 -0.57 2.33 2.43 -1.30 -1.34 114.38 117.39 1lt6 h ARG 67 Ca 0.22 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1lt6 h ARG 67 Cb -0.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1lt6 h ARG 67 CO -0.05 0.68 0.18 1.98 -1.51 0.00 0.00 179.97 181.24 1lt6 h MET 68 N 0.63 0.86 -0.22 0.20 4.05 0.25 -1.45 114.93 119.27 1lt6 h MET 68 Ca 0.13 -0.16 -0.16 0.00 -0.28 0.00 0.00 59.70 59.23 1lt6 h MET 68 Cb 0.38 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1lt6 h MET 68 CO 0.01 0.75 -0.51 0.87 0.23 0.00 0.00 176.91 178.25 1lt6 h LYS 69 N 0.84 0.61 -0.30 0.39 1.57 -0.47 -2.83 116.57 116.38 1lt6 h LYS 69 Ca 0.19 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1lt6 h LYS 69 Cb 0.25 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1lt6 h LYS 69 CO -0.01 0.98 0.08 -0.44 -0.57 0.00 0.00 179.45 179.49 1lt6 h ASP 70 N 0.48 0.45 -0.38 0.86 3.32 -0.67 -2.68 116.42 117.80 1lt6 h ASP 70 Ca 0.02 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1lt6 h ASP 70 Cb 1.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 1lt6 h ASP 70 CO 0.10 0.55 0.16 0.71 -1.72 0.00 0.00 179.24 179.04 1lt6 h THR 71 N 0.32 0.93 -0.31 0.35 1.35 -1.27 -1.73 112.91 112.56 1lt6 h THR 71 Ca 0.09 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 1lt6 h THR 71 Cb 0.27 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1lt6 h THR 71 CO -0.00 0.06 0.00 -0.07 -0.25 0.00 0.00 175.52 175.26 1lt6 h LEU 72 N 0.33 0.44 0.58 3.87 3.38 -1.45 0.29 115.31 122.75 1lt6 h LEU 72 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1lt6 h LEU 72 Cb 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1lt6 h LEU 72 CO -0.15 0.51 -0.28 -0.09 0.09 0.00 0.00 178.44 178.52 1lt6 h ARG 73 N 0.46 -0.75 -0.61 1.13 2.43 -1.01 -1.06 114.38 114.98 1lt6 h ARG 73 Ca 0.10 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1lt6 h ARG 73 Cb 0.30 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1lt6 h ARG 73 CO 0.01 -0.50 0.40 0.97 -1.51 0.00 0.00 179.97 179.34 1lt6 h ILE 74 N -1.16 1.08 -0.75 1.20 6.09 -1.22 0.28 117.51 123.02 1lt6 h ILE 74 Ca -0.08 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.14 1lt6 h ILE 74 Cb 0.59 0.31 -0.04 0.00 0.47 0.00 0.00 36.82 38.15 1lt6 h ILE 74 CO 0.13 0.13 0.37 0.74 -3.07 0.00 0.00 178.15 176.45 1lt6 h THR 75 N 0.71 1.23 0.12 2.19 2.02 -0.42 -0.70 112.91 118.06 1lt6 h THR 75 Ca 0.24 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1lt6 h THR 75 Cb 0.08 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1lt6 h THR 75 CO -0.07 0.27 -0.06 0.22 0.37 0.00 0.00 175.52 176.26 1lt6 h TYR 76 N 1.06 -0.15 -0.65 3.16 3.20 0.37 -1.31 116.97 122.65 1lt6 h TYR 76 Ca 0.26 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.23 1lt6 h TYR 76 Cb 0.09 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1lt6 h TYR 76 CO 0.01 0.25 0.43 -0.07 -1.64 0.00 0.00 178.16 177.15 1lt6 h LEU 77 N -0.61 0.43 -1.00 2.82 3.38 -0.94 -0.60 115.31 118.79 1lt6 h LEU 77 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lt6 h LEU 77 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1lt6 h LEU 77 CO 0.03 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.16 1lt6 n THR 78 N -4.48 0.17 -3.09 0.22 -2.24 -0.29 -4.92 114.28 99.66 1lt6 n THR 78 Ca 0.11 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1lt6 n THR 78 Cb 0.37 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 1lt6 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lt6 n GLU 79 N 0.22 -3.81 -2.64 -0.78 1.02 -0.23 -4.94 120.64 109.47 1lt6 n GLU 79 Ca 0.16 0.68 -0.36 0.00 -0.02 0.00 0.00 57.16 57.62 1lt6 n GLU 79 Cb 0.31 -5.44 -0.05 0.00 -0.02 0.00 0.00 31.44 26.24 1lt6 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lt6 s THR 80 N -3.00 3.94 -0.03 2.62 2.01 -0.51 -4.84 115.64 115.83 1lt6 s THR 80 Ca 0.30 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.59 1lt6 s THR 80 Cb -0.15 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1lt6 s THR 80 CO 0.37 -0.00 0.51 -0.54 -0.69 0.00 0.00 174.62 174.27 1lt6 s LYS 81 N -2.48 4.21 0.03 4.92 1.02 -1.26 -4.23 119.74 121.95 1lt6 s LYS 81 Ca 0.56 0.57 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 1lt6 s LYS 81 Cb -0.19 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.73 1lt6 s LYS 81 CO 0.25 0.42 0.51 0.42 -0.92 0.00 0.00 175.35 176.03 1lt6 s ILE 82 N -0.30 4.88 -0.02 2.17 -1.09 -0.02 -4.36 121.20 122.46 1lt6 s ILE 82 Ca 0.27 1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 59.76 1lt6 s ILE 82 Cb -0.17 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1lt6 s ILE 82 CO 0.14 0.53 -0.02 -0.78 -1.23 0.00 0.00 174.94 173.59 1lt6 h ASP 83 N 4.85 0.00 -4.19 3.58 3.58 -1.28 0.03 116.42 122.98 1lt6 h ASP 83 Ca -0.49 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.50 1lt6 h ASP 83 Cb 1.21 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.13 1lt6 h ASP 83 CO 0.64 0.09 -0.55 -0.54 -2.88 0.00 0.00 179.24 176.00 1lt6 s LYS 84 N -1.14 1.70 -0.26 0.28 1.02 -1.17 -0.71 119.74 119.45 1lt6 s LYS 84 Ca -0.02 -1.99 -0.21 0.00 0.02 0.00 0.00 55.97 53.77 1lt6 s LYS 84 Cb 0.00 -0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.08 1lt6 s LYS 84 CO 0.02 -0.44 0.68 -0.48 -0.92 0.00 0.00 175.35 174.21 1lt6 s LEU 85 N -3.45 -0.70 -0.17 3.17 0.05 -0.81 -1.93 118.68 114.84 1lt6 s LEU 85 Ca 0.33 1.41 -0.13 0.00 0.05 0.00 0.00 54.13 55.79 1lt6 s LEU 85 Cb 0.05 2.34 -0.05 0.00 -2.05 0.00 0.00 46.19 46.48 1lt6 s LEU 85 CO 0.17 -0.24 0.25 0.00 -0.55 0.00 0.00 176.35 175.98 1lt6 s VAL 87 N 0.47 0.90 -0.35 0.00 -7.23 -0.75 -0.27 120.40 113.17 1lt6 s VAL 87 Ca 0.14 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1lt6 s VAL 87 Cb -0.12 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 1lt6 s VAL 87 CO 0.02 -0.23 0.22 0.26 -0.31 0.00 0.00 175.10 175.06 1lt6 s TRP 88 N -3.51 3.22 -2.16 2.82 0.51 0.55 -1.56 118.94 118.80 1lt6 s TRP 88 Ca 0.31 -0.44 0.17 0.00 -2.12 0.00 0.00 56.10 54.03 1lt6 s TRP 88 Cb 0.07 -2.46 0.68 0.00 -0.81 0.00 0.00 33.47 30.95 1lt6 s TRP 88 CO 0.10 -0.45 1.49 0.27 -0.51 0.00 0.00 176.95 177.85 1lt6 n ASN 89 N 5.07 1.34 -1.59 2.95 0.23 -0.94 -2.15 115.26 120.18 1lt6 n ASN 89 Ca -0.13 -1.73 0.08 0.00 -0.53 0.00 0.00 54.58 52.27 1lt6 n ASN 89 Cb 0.49 -0.11 0.34 0.00 -2.08 0.00 0.00 39.78 38.42 1lt6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lt6 n ASN 90 N 0.14 4.71 -4.29 0.53 6.94 -1.26 -4.89 115.26 117.14 1lt6 n ASN 90 Ca 0.14 -2.55 -0.16 0.00 -0.02 0.00 0.00 54.58 51.99 1lt6 n ASN 90 Cb 0.26 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 36.99 1lt6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lt6 s LYS 91 N -2.08 1.17 -0.16 -3.83 -0.14 -1.25 -5.10 119.74 108.36 1lt6 s LYS 91 Ca 0.48 -1.52 -0.03 0.00 -1.36 0.00 0.00 55.97 53.53 1lt6 s LYS 91 Cb 0.33 -0.75 0.05 0.00 -1.68 0.00 0.00 37.83 35.78 1lt6 s LYS 91 CO 0.20 0.08 0.05 0.99 -0.76 0.00 0.00 175.35 175.91 1lt6 s THR 92 N -3.25 0.22 1.00 2.17 2.01 -1.26 -3.27 115.64 113.26 1lt6 s THR 92 Ca 0.20 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1lt6 s THR 92 Cb 0.02 -0.72 0.19 0.00 0.01 0.00 0.00 72.50 72.01 1lt6 s THR 92 CO 0.03 -0.14 1.09 -2.84 -0.69 0.00 0.00 174.62 172.08 1lt6 s PRO 93 N 2.01 0.35 0.34 4.92 0.02 -1.26 -5.07 135.00 136.31 1lt6 s PRO 93 Ca 0.01 1.20 -0.29 0.00 0.02 0.00 0.00 61.00 61.95 1lt6 s PRO 93 Cb -0.16 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 1lt6 s PRO 93 CO -0.08 -2.97 1.39 -0.80 -0.33 0.00 0.00 177.00 174.21 1lt6 s ASN 94 N -2.72 6.59 -0.09 2.53 0.01 -1.20 -4.59 114.94 115.47 1lt6 s ASN 94 Ca 0.67 2.84 -0.22 0.00 -0.71 0.00 0.00 52.86 55.43 1lt6 s ASN 94 Cb -0.23 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.74 1lt6 s ASN 94 CO 0.60 -0.69 0.66 -0.55 -1.51 0.00 0.00 177.10 175.62 1lt6 s SER 95 N -0.29 6.92 0.13 -1.22 0.15 -0.91 -1.80 113.70 116.68 1lt6 s SER 95 Ca 0.51 1.10 -0.31 0.00 0.70 0.00 0.00 55.95 57.96 1lt6 s SER 95 Cb -0.43 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.42 1lt6 s SER 95 CO 0.57 -0.11 1.29 -0.63 1.20 0.00 0.00 173.24 175.56 1lt6 s ILE 96 N 0.86 3.52 -0.03 6.45 1.01 -0.24 -0.33 121.20 132.44 1lt6 s ILE 96 Ca 0.35 1.15 0.05 0.00 0.00 0.00 0.00 60.65 62.20 1lt6 s ILE 96 Cb -0.17 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1lt6 s ILE 96 CO 0.16 0.12 0.07 0.00 0.00 0.00 0.00 174.94 175.30 1lt6 n ALA 97 N 3.43 2.03 -3.54 9.38 0.00 0.63 -4.90 120.51 127.54 1lt6 n ALA 97 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1lt6 n ALA 97 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1lt6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lt6 s ALA 98 N -2.27 -1.90 0.04 0.00 0.00 -1.01 -4.97 121.76 111.66 1lt6 s ALA 98 Ca -0.02 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1lt6 s ALA 98 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1lt6 s ALA 98 CO 0.24 -0.53 -0.06 -1.50 0.00 0.00 0.00 175.76 173.91 1lt6 s ILE 99 N -2.23 0.45 0.01 0.00 2.07 -1.26 -1.30 121.20 118.93 1lt6 s ILE 99 Ca 0.03 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1lt6 s ILE 99 Cb -0.01 -0.71 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 1lt6 s ILE 99 CO -0.04 -0.50 -0.05 -0.94 -1.91 0.00 0.00 174.94 171.50 1lt6 s SER 100 N -1.80 0.55 0.11 4.50 1.04 -0.81 -4.98 113.70 112.30 1lt6 s SER 100 Ca -0.08 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.20 1lt6 s SER 100 Cb -0.07 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1lt6 s SER 100 CO -0.01 -0.04 -0.17 -0.04 0.98 0.00 0.00 173.24 173.96 1lt6 s MET 101 N -0.55 1.03 0.05 4.02 -1.94 -1.26 -0.81 119.30 119.83 1lt6 s MET 101 Ca -0.03 -1.15 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 1lt6 s MET 101 Cb -0.04 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 1lt6 s MET 101 CO -0.00 0.24 -0.03 0.21 -0.01 0.00 0.00 175.02 175.43 1lt6 s LYS 102 N -2.15 0.56 0.00 2.03 2.20 -1.26 -4.90 119.74 116.22 1lt6 s LYS 102 Ca 0.06 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 1lt6 s LYS 102 Cb -0.08 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1lt6 s LYS 102 CO 0.04 -0.10 0.00 0.09 -0.36 0.00 0.00 175.35 175.02