#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 -0.08 -0.09 0.00 -0.02 -1.26 -4.99 135.00 128.57 1lt6 n PRO 2 Ca 0.00 0.04 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 1lt6 n PRO 2 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 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 -2.54 0.41 -3.57 -0.52 1.13 -1.26 -5.02 117.38 106.01 1lt6 n GLN 3 Ca 0.10 0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 55.09 1lt6 n GLN 3 Cb 0.52 -1.27 -0.02 0.00 0.11 0.00 0.00 30.24 29.58 1lt6 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lt6 s THR 4 N -2.34 3.58 0.25 5.09 -4.23 -1.26 -5.02 115.64 111.71 1lt6 s THR 4 Ca -0.24 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1lt6 s THR 4 Cb 0.07 -3.23 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 1lt6 s THR 4 CO 0.37 -0.13 1.57 -0.29 -0.54 0.00 0.00 174.62 175.60 1lt6 h ILE 5 N 1.03 1.48 -0.34 2.99 2.10 -1.97 -2.98 117.51 119.81 1lt6 h ILE 5 Ca -0.44 -2.27 -0.08 0.00 1.08 0.00 0.00 64.86 63.15 1lt6 h ILE 5 Cb 1.26 2.22 -0.01 0.00 -1.09 0.00 0.00 36.82 39.20 1lt6 h ILE 5 CO 0.55 0.65 -0.10 0.74 -1.08 0.00 0.00 178.15 178.91 1lt6 h THR 6 N 0.00 1.28 -0.15 2.19 2.02 -1.98 0.17 112.91 116.44 1lt6 h THR 6 Ca -0.01 -1.16 -0.17 0.00 0.77 0.00 0.00 66.41 65.84 1lt6 h THR 6 Cb 1.17 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1lt6 h THR 6 CO 0.09 0.38 -0.60 1.05 0.37 0.00 0.00 175.52 176.80 1lt6 h GLU 7 N 0.44 0.51 0.11 6.66 4.11 -1.97 -2.53 114.58 121.92 1lt6 h GLU 7 Ca 0.08 -0.35 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 1lt6 h GLU 7 Cb 0.60 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1lt6 h GLU 7 CO 0.04 0.96 -0.05 1.25 0.07 0.00 0.00 179.01 181.28 1lt6 h LEU 8 N 0.38 -0.12 -1.65 3.06 5.85 -1.44 -1.87 115.31 119.53 1lt6 h LEU 8 Ca -0.00 -0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.79 1lt6 h LEU 8 Cb 1.15 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1lt6 h LEU 8 CO 0.11 0.01 0.50 0.00 -0.34 0.00 0.00 178.44 178.72 1lt6 n SER 10 N -4.46 0.00 0.02 0.00 7.64 -0.71 -3.19 113.62 112.92 1lt6 n SER 10 Ca 0.14 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.55 1lt6 n SER 10 Cb 0.58 -0.45 0.35 0.00 -1.01 0.00 0.00 64.21 63.68 1lt6 n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lt6 n GLU 11 N -1.45 0.08 -4.25 1.43 1.02 -0.28 -4.91 120.64 112.29 1lt6 n GLU 11 Ca 0.05 0.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.98 1lt6 n GLU 11 Cb 0.17 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.04 2.59 0.43 -0.32 1.51 -1.19 -5.14 117.35 112.18 1lt6 s TYR 12 Ca 0.11 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1lt6 s TYR 12 Cb 0.17 -1.69 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1lt6 s TYR 12 CO 0.65 0.36 0.64 1.03 -1.11 0.00 0.00 175.55 177.11 1lt6 s ARG 13 N -3.80 3.08 -1.44 -0.62 0.52 -1.26 -4.48 118.95 110.95 1lt6 s ARG 13 Ca 0.37 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 1lt6 s ARG 13 Cb 0.01 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.92 1lt6 s ARG 13 CO 0.21 -0.21 0.65 0.09 0.02 0.00 0.00 175.30 176.05 1lt6 n ASN 14 N -2.00 -5.10 -4.39 0.23 3.02 -1.26 -4.94 115.26 100.82 1lt6 n ASN 14 Ca 0.01 -0.40 -0.21 0.00 -0.03 0.00 0.00 54.58 53.96 1lt6 n ASN 14 Cb 0.58 -4.13 -0.10 0.00 -0.61 0.00 0.00 39.78 35.51 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 -3.11 1.99 0.10 3.41 -4.23 -1.26 -0.21 115.64 112.34 1lt6 s THR 15 Ca 0.40 -2.25 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1lt6 s THR 15 Cb -0.19 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.60 1lt6 s THR 15 CO 0.49 -0.50 0.55 0.00 -0.54 0.00 0.00 174.62 174.62 1lt6 s GLN 16 N -3.51 1.15 -0.09 3.99 -2.07 -0.48 -4.89 119.66 113.76 1lt6 s GLN 16 Ca 0.24 -0.38 -0.11 0.00 -1.82 0.00 0.00 55.36 53.30 1lt6 s GLN 16 Cb -0.03 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.37 1lt6 s GLN 16 CO 0.09 -0.46 0.25 0.42 -1.32 0.00 0.00 175.29 174.27 1lt6 s ILE 17 N -3.16 5.32 -0.11 3.63 -1.09 -1.26 -1.57 121.20 122.96 1lt6 s ILE 17 Ca -0.02 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.88 1lt6 s ILE 17 Cb -0.00 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1lt6 s ILE 17 CO -0.08 0.57 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.72 1lt6 s TYR 18 N -0.77 2.72 -0.38 3.97 2.02 -0.03 -4.98 117.35 119.91 1lt6 s TYR 18 Ca 0.18 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 56.00 1lt6 s TYR 18 Cb -0.14 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1lt6 s TYR 18 CO 0.07 -0.26 0.25 0.99 -1.57 0.00 0.00 175.55 175.03 1lt6 s THR 19 N 0.28 5.04 -0.04 -0.71 2.01 -1.26 -1.65 115.64 119.31 1lt6 s THR 19 Ca -0.12 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 1lt6 s THR 19 Cb -0.16 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1lt6 s THR 19 CO 0.06 -0.18 -0.06 -0.38 -0.69 0.00 0.00 174.62 173.37 1lt6 n ILE 20 N 5.09 0.37 -3.27 1.82 2.08 -0.04 -5.02 119.36 120.38 1lt6 n ILE 20 Ca -0.12 0.42 -0.12 0.00 0.56 0.00 0.00 62.75 63.49 1lt6 n ILE 20 Cb 0.48 -1.72 0.04 0.00 -0.75 0.00 0.00 39.64 37.68 1lt6 n ILE 20 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1lt6 n ASN 21 N -2.91 -6.80 -3.60 4.38 5.03 0.93 -5.01 115.26 107.29 1lt6 n ASN 21 Ca -0.02 -0.53 -0.05 0.00 0.87 0.00 0.00 54.58 54.85 1lt6 n ASN 21 Cb 0.09 -4.77 -0.03 0.00 -1.02 0.00 0.00 39.78 34.05 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1lt6 s ASP 22 N -3.23 -0.17 0.70 6.41 2.15 -0.99 -4.93 116.67 116.61 1lt6 s ASP 22 Ca 0.26 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.22 1lt6 s ASP 22 Cb -0.05 0.16 0.02 0.00 -0.30 0.00 0.00 42.92 42.76 1lt6 s ASP 22 CO 0.77 -0.23 1.08 -1.59 -0.17 0.00 0.00 175.17 175.03 1lt6 s LYS 23 N -1.88 2.73 0.22 4.34 -2.85 -1.26 -1.58 119.74 119.45 1lt6 s LYS 23 Ca 0.07 0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 55.07 1lt6 s LYS 23 Cb -0.01 -2.05 -0.08 0.00 -2.06 0.00 0.00 37.83 33.63 1lt6 s LYS 23 CO -0.04 -1.06 1.00 0.42 0.10 0.00 0.00 175.35 175.76 1lt6 s ILE 24 N -3.33 3.99 -0.10 3.79 1.01 -1.26 -4.80 121.20 120.50 1lt6 s ILE 24 Ca 0.58 1.90 -0.22 0.00 0.00 0.00 0.00 60.65 62.90 1lt6 s ILE 24 Cb -0.11 -4.21 -0.28 0.00 0.01 0.00 0.00 42.46 37.87 1lt6 s ILE 24 CO 0.50 0.41 0.73 0.25 0.00 0.00 0.00 174.94 176.83 1lt6 h LEU 25 N 4.47 0.29 -7.84 2.97 5.85 -1.21 -3.48 115.31 116.36 1lt6 h LEU 25 Ca -0.45 -0.90 -0.17 0.00 0.84 0.00 0.00 57.88 57.19 1lt6 h LEU 25 Cb 1.21 -0.09 -0.23 0.00 0.37 0.00 0.00 40.66 41.92 1lt6 h LEU 25 CO 0.69 1.35 -0.63 -0.94 -0.34 0.00 0.00 178.44 178.57 1lt6 s SER 26 N -6.78 0.10 -0.08 1.25 1.04 -1.07 -4.99 113.70 103.17 1lt6 s SER 26 Ca -0.18 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1lt6 s SER 26 Cb 0.01 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1lt6 s SER 26 CO 0.76 -0.25 -0.16 -0.47 0.98 0.00 0.00 173.24 174.10 1lt6 s TYR 27 N -1.06 1.89 -0.02 5.02 6.14 -1.26 -1.97 117.35 126.08 1lt6 s TYR 27 Ca -0.12 -0.76 0.05 0.00 0.64 0.00 0.00 57.07 56.89 1lt6 s TYR 27 Cb -0.07 -1.33 -0.01 0.00 0.42 0.00 0.00 41.96 40.97 1lt6 s TYR 27 CO -0.00 -0.35 -0.18 0.99 0.64 0.00 0.00 175.55 176.65 1lt6 s THR 28 N 0.60 1.45 -0.03 4.34 2.01 -0.32 -4.99 115.64 118.70 1lt6 s THR 28 Ca -0.15 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1lt6 s THR 28 Cb -0.16 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.15 1lt6 s THR 28 CO 0.05 0.41 0.01 -0.70 -0.69 0.00 0.00 174.62 173.70 1lt6 s GLU 29 N -0.28 0.25 -0.02 4.92 2.12 -1.26 -1.45 118.70 122.97 1lt6 s GLU 29 Ca 0.04 0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.52 1lt6 s GLU 29 Cb -0.08 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 33.83 1lt6 s GLU 29 CO 0.00 -0.15 -0.19 0.45 -0.54 0.00 0.00 175.26 174.84 1lt6 s SER 30 N 1.07 2.26 0.00 -1.70 0.15 -0.54 -4.99 113.70 109.95 1lt6 s SER 30 Ca -0.09 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.27 1lt6 s SER 30 Cb -0.13 -0.34 0.15 0.00 -1.71 0.00 0.00 66.02 63.99 1lt6 s SER 30 CO -0.02 0.22 1.03 1.15 1.20 0.00 0.00 173.24 176.82 1lt6 n MET 31 N 2.73 2.04 -1.94 5.44 0.00 -1.26 -2.13 117.12 121.99 1lt6 n MET 31 Ca -0.16 -1.57 -0.41 0.00 0.00 0.00 0.00 57.70 55.56 1lt6 n MET 31 Cb 0.53 -1.16 -0.01 0.00 0.00 0.00 0.00 33.22 32.58 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 -0.88 3.58 0.16 3.17 0.00 -1.26 -4.76 121.76 121.77 1lt6 s ALA 32 Ca 0.13 1.43 -0.34 0.00 0.00 0.00 0.00 51.96 53.18 1lt6 s ALA 32 Cb 0.07 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1lt6 s ALA 32 CO 0.10 -0.85 1.38 0.41 0.00 0.00 0.00 175.76 176.79 1lt6 n GLY 33 N 1.08 0.62 3.56 0.00 0.00 -1.26 -0.87 105.19 108.32 1lt6 n GLY 33 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 2.48 0.00 -0.80 1.61 4.01 -1.26 -4.79 118.16 119.41 1lt6 n LYS 34 Ca 0.16 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 58.01 1lt6 n LYS 34 Cb 0.26 -3.15 0.12 0.00 -0.51 0.00 0.00 35.03 31.75 1lt6 n LYS 34 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1lt6 n ARG 35 N -2.00 0.90 -1.93 1.97 3.00 -0.05 -4.98 116.66 113.57 1lt6 n ARG 35 Ca 0.00 -2.58 -0.23 0.00 -0.00 0.00 0.00 57.85 55.03 1lt6 n ARG 35 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 32.46 31.42 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 -1.86 2.29 0.34 -0.14 8.01 -1.05 -4.48 118.70 121.80 1lt6 s GLU 36 Ca 0.32 -0.20 0.02 0.00 0.01 0.00 0.00 54.97 55.12 1lt6 s GLU 36 Cb 0.33 -5.01 -0.01 0.00 -4.31 0.00 0.00 34.13 25.12 1lt6 s GLU 36 CO -0.08 -3.75 0.39 0.00 0.01 0.00 0.00 175.26 171.83 1lt6 s MET 37 N 7.43 1.86 -0.02 1.61 0.23 -0.90 -4.27 119.30 125.23 1lt6 s MET 37 Ca 0.75 -1.88 0.02 0.00 -1.03 0.00 0.00 55.69 53.55 1lt6 s MET 37 Cb -0.07 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1lt6 s MET 37 CO 0.03 -0.74 -0.06 0.08 -2.03 0.00 0.00 175.02 172.30 1lt6 s VAL 38 N -3.20 0.55 -0.06 5.16 1.01 -1.22 -1.47 120.40 121.18 1lt6 s VAL 38 Ca 0.35 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1lt6 s VAL 38 Cb 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1lt6 s VAL 38 CO 0.24 0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1lt6 s ILE 39 N 0.25 1.02 0.12 2.22 1.01 -0.53 -1.40 121.20 123.89 1lt6 s ILE 39 Ca -0.03 -0.42 0.11 0.00 0.00 0.00 0.00 60.65 60.31 1lt6 s ILE 39 Cb -0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1lt6 s ILE 39 CO -0.00 0.33 -0.26 0.27 0.00 0.00 0.00 174.94 175.27 1lt6 s ILE 40 N 0.64 2.28 0.05 2.92 -4.36 -0.43 -1.17 121.20 121.13 1lt6 s ILE 40 Ca -0.13 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.60 1lt6 s ILE 40 Cb -0.15 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 1lt6 s ILE 40 CO 0.03 0.12 -0.12 -0.89 0.24 0.00 0.00 174.94 174.33 1lt6 s THR 41 N -1.04 0.89 0.11 8.37 2.01 -0.83 -1.37 115.64 123.79 1lt6 s THR 41 Ca 0.14 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1lt6 s THR 41 Cb -0.10 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1lt6 s THR 41 CO 0.06 -0.16 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.33 1lt6 s PHE 42 N -1.06 2.65 0.33 4.92 0.08 0.72 -0.60 117.98 125.03 1lt6 s PHE 42 Ca -0.03 -0.20 0.18 0.00 0.12 0.00 0.00 56.93 57.00 1lt6 s PHE 42 Cb -0.09 -1.39 1.18 0.00 -0.57 0.00 0.00 43.02 42.16 1lt6 s PHE 42 CO 0.01 0.42 1.43 1.17 -0.10 0.00 0.00 175.22 178.15 1lt6 n LYS 43 N 0.70 -0.06 -0.20 0.44 0.00 -1.26 0.49 118.16 118.27 1lt6 n LYS 43 Ca -0.14 1.26 0.02 0.00 0.00 0.00 0.00 58.31 59.45 1lt6 n LYS 43 Cb 0.53 -2.24 0.10 0.00 0.00 0.00 0.00 35.03 33.42 1lt6 n LYS 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1lt6 n SER 44 N -5.07 1.88 0.00 3.14 3.41 -1.26 -4.90 113.62 110.82 1lt6 n SER 44 Ca 0.33 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1lt6 n SER 44 Cb 1.13 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.41 3.04 3.64 5.00 0.00 0.18 -5.04 105.19 112.42 1lt6 n GLY 45 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 1lt6 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lt6 n GLU 46 N -0.56 1.77 -4.71 1.61 4.71 -1.24 -4.60 120.64 117.62 1lt6 n GLU 46 Ca 0.00 0.63 -0.26 0.00 -0.01 0.00 0.00 57.16 57.53 1lt6 n GLU 46 Cb 0.00 -2.28 -0.16 0.00 -1.01 0.00 0.00 31.44 27.98 1lt6 n GLU 46 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1lt6 s THR 47 N 0.23 1.29 0.10 2.62 2.01 -1.26 -0.20 115.64 120.43 1lt6 s THR 47 Ca 0.74 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1lt6 s THR 47 Cb -0.74 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1lt6 s THR 47 CO 0.47 0.39 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.31 1lt6 s PHE 48 N 0.48 1.12 0.19 4.92 0.08 -0.47 -3.88 117.98 120.42 1lt6 s PHE 48 Ca -0.12 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.36 1lt6 s PHE 48 Cb -0.15 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 1lt6 s PHE 48 CO 0.04 0.03 -0.09 1.14 -0.10 0.00 0.00 175.22 176.24 1lt6 s GLN 49 N -2.65 1.25 -0.38 0.44 -2.07 -0.28 -1.32 119.66 114.65 1lt6 s GLN 49 Ca 0.05 -1.57 -0.01 0.00 -1.82 0.00 0.00 55.36 52.01 1lt6 s GLN 49 Cb -0.04 -0.82 0.10 0.00 -1.09 0.00 0.00 33.01 31.16 1lt6 s GLN 49 CO 0.01 0.07 0.14 0.08 -1.32 0.00 0.00 175.29 174.26 1lt6 s VAL 50 N -3.21 2.96 0.92 3.63 1.01 -0.49 -1.15 120.40 124.08 1lt6 s VAL 50 Ca 0.22 -2.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 1lt6 s VAL 50 Cb 0.02 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1lt6 s VAL 50 CO 0.05 -0.60 0.26 -0.62 0.00 0.00 0.00 175.10 174.19 1lt6 n GLU 51 N 4.50 -0.17 -2.41 2.72 1.02 -1.26 -3.41 120.64 121.63 1lt6 n GLU 51 Ca -0.02 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 1lt6 n GLU 51 Cb 0.42 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 1lt6 n GLU 51 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1lt6 s VAL 52 N -2.28 3.35 0.75 2.62 -7.23 -1.26 -4.91 120.40 111.44 1lt6 s VAL 52 Ca 0.56 1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 61.91 1lt6 s VAL 52 Cb -0.23 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 32.91 1lt6 s VAL 52 CO 0.68 0.30 1.19 -2.65 -0.31 0.00 0.00 175.10 174.31 1lt6 n PRO 53 N 1.03 0.52 -0.19 4.82 -0.02 -1.26 -4.97 135.00 134.93 1lt6 n PRO 53 Ca -0.01 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1lt6 n PRO 53 Cb 0.44 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.76 2.09 0.26 -1.23 0.00 -1.26 -5.03 105.19 100.78 1lt6 n GLY 54 Ca 0.14 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1lt6 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lt6 h SER 55 N 0.00 0.00 0.13 1.61 0.02 -2.02 -3.03 113.55 110.25 1lt6 h SER 55 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1lt6 h SER 55 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1lt6 h SER 55 CO 0.00 0.01 -0.26 1.56 -1.14 0.00 0.00 176.83 177.00 1lt6 h GLN 56 N 0.00 0.23 -7.05 3.45 7.50 -1.97 -3.44 115.11 113.83 1lt6 h GLN 56 Ca -0.00 -0.08 -0.48 0.00 0.50 0.00 0.00 58.65 58.59 1lt6 h GLN 56 Cb 0.68 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.20 1lt6 h GLN 56 CO 0.00 0.48 0.27 -1.01 -1.50 0.00 0.00 178.83 177.07 1lt6 s HIS 57 N -4.45 3.47 0.36 2.96 3.76 -1.15 -5.08 115.29 115.15 1lt6 s HIS 57 Ca -0.05 1.28 0.03 0.00 -0.15 0.00 0.00 55.06 56.17 1lt6 s HIS 57 Cb 0.14 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.18 1lt6 s HIS 57 CO 0.75 -0.27 0.53 0.96 -0.85 0.00 0.00 174.74 175.86 1lt6 s ILE 58 N -2.54 4.47 0.35 0.60 -4.36 -1.26 -4.93 121.20 113.53 1lt6 s ILE 58 Ca 0.56 -0.73 0.10 0.00 -0.26 0.00 0.00 60.65 60.32 1lt6 s ILE 58 Cb -0.10 -3.60 0.33 0.00 1.25 0.00 0.00 42.46 40.34 1lt6 s ILE 58 CO 0.32 -0.33 1.81 -0.78 0.24 0.00 0.00 174.94 176.21 1lt6 h ASP 59 N 0.75 0.65 0.34 4.36 3.58 -1.98 0.11 116.42 124.23 1lt6 h ASP 59 Ca -0.48 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 56.99 1lt6 h ASP 59 Cb 1.24 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1lt6 h ASP 59 CO 0.57 0.25 -0.26 0.77 -2.88 0.00 0.00 179.24 177.69 1lt6 h SER 60 N 0.64 0.00 0.81 2.28 4.64 -2.04 -2.51 113.55 117.38 1lt6 h SER 60 Ca 0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.77 1lt6 h SER 60 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1lt6 h SER 60 CO -0.29 0.26 -0.37 1.56 -0.87 0.00 0.00 176.83 177.12 1lt6 h GLN 61 N 0.00 0.00 -0.45 4.77 4.20 -1.15 -3.27 115.11 119.21 1lt6 h GLN 61 Ca -0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1lt6 h GLN 61 Cb 0.50 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 1lt6 h GLN 61 CO 0.03 0.37 0.08 0.87 -0.67 0.00 0.00 178.83 179.52 1lt6 h LYS 62 N 0.00 0.21 0.00 1.46 1.79 -1.32 0.39 116.57 119.10 1lt6 h LYS 62 Ca -0.00 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1lt6 h LYS 62 Cb 0.88 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1lt6 h LYS 62 CO 0.05 0.14 -0.42 1.57 -1.08 0.00 0.00 179.45 179.70 1lt6 h LYS 63 N 0.21 0.00 -0.03 3.15 5.09 -1.71 -3.21 116.57 120.07 1lt6 h LYS 63 Ca 0.22 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.78 1lt6 h LYS 63 Cb 0.28 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.60 1lt6 h LYS 63 CO -0.29 0.42 -0.78 0.00 -2.09 0.00 0.00 179.45 176.71 1lt6 h ALA 64 N 1.58 0.60 -0.48 0.07 0.00 -0.98 -2.76 119.26 117.28 1lt6 h ALA 64 Ca -0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1lt6 h ALA 64 Cb 0.94 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1lt6 h ALA 64 CO 0.06 0.82 0.07 0.82 0.00 0.00 0.00 179.25 181.02 1lt6 h ILE 65 N 0.18 1.25 -0.58 0.00 2.04 -0.34 -1.00 117.51 119.06 1lt6 h ILE 65 Ca -0.04 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1lt6 h ILE 65 Cb 1.37 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1lt6 h ILE 65 CO 0.12 0.33 0.24 -0.33 0.00 0.00 0.00 178.15 178.51 1lt6 h GLU 66 N 0.67 0.86 -0.39 2.37 4.39 -1.60 -2.01 114.58 118.87 1lt6 h GLU 66 Ca 0.15 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1lt6 h GLU 66 Cb 0.40 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1lt6 h GLU 66 CO 0.01 0.73 0.23 -0.09 -1.16 0.00 0.00 179.01 178.73 1lt6 h ARG 67 N 0.79 0.54 -0.89 2.33 2.43 -1.38 -1.27 114.38 116.92 1lt6 h ARG 67 Ca 0.19 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1lt6 h ARG 67 Cb 0.18 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1lt6 h ARG 67 CO -0.02 0.42 0.58 1.98 -1.51 0.00 0.00 179.97 181.42 1lt6 h MET 68 N 0.51 1.00 -0.30 0.20 4.05 -0.71 -0.48 114.93 119.20 1lt6 h MET 68 Ca 0.14 -0.06 -0.17 0.00 -0.28 0.00 0.00 59.70 59.33 1lt6 h MET 68 Cb 0.03 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1lt6 h MET 68 CO -0.02 0.66 -0.49 0.87 0.23 0.00 0.00 176.91 178.16 1lt6 h LYS 69 N 1.03 0.87 -0.54 0.39 1.57 -0.94 -1.39 116.57 117.56 1lt6 h LYS 69 Ca 0.38 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1lt6 h LYS 69 Cb 0.16 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1lt6 h LYS 69 CO -0.14 1.16 0.36 -0.44 -0.57 0.00 0.00 179.45 179.83 1lt6 h ASP 70 N 0.65 0.62 -0.38 0.86 3.32 -0.36 -2.39 116.42 118.74 1lt6 h ASP 70 Ca 0.03 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1lt6 h ASP 70 Cb 1.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1lt6 h ASP 70 CO 0.11 0.44 -0.03 0.74 -1.72 0.00 0.00 179.24 178.79 1lt6 h THR 71 N 0.73 1.27 -0.28 0.35 2.02 -0.70 -2.68 112.91 113.61 1lt6 h THR 71 Ca 0.20 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1lt6 h THR 71 Cb -0.07 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1lt6 h THR 71 CO -0.04 0.35 -0.22 -0.07 0.37 0.00 0.00 175.52 175.91 1lt6 h LEU 72 N 0.50 0.52 -0.06 2.58 3.38 -0.81 -1.78 115.31 119.64 1lt6 h LEU 72 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1lt6 h LEU 72 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lt6 h LEU 72 CO 0.03 0.74 -0.04 -0.09 0.09 0.00 0.00 178.44 179.17 1lt6 h ARG 73 N 0.46 0.12 -0.46 1.13 2.43 -1.40 -1.10 114.38 115.57 1lt6 h ARG 73 Ca 0.07 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1lt6 h ARG 73 Cb 0.64 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1lt6 h ARG 73 CO 0.05 0.54 -0.10 0.97 -1.51 0.00 0.00 179.97 179.91 1lt6 h ILE 74 N -0.29 1.26 -0.14 1.20 6.09 -1.46 0.74 117.51 124.90 1lt6 h ILE 74 Ca 0.01 -1.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1lt6 h ILE 74 Cb 0.51 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1lt6 h ILE 74 CO 0.01 0.41 0.09 0.74 -3.07 0.00 0.00 178.15 176.33 1lt6 h THR 75 N 0.75 1.05 0.09 2.19 2.02 -1.32 0.68 112.91 118.37 1lt6 h THR 75 Ca 0.13 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1lt6 h THR 75 Cb 0.60 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1lt6 h THR 75 CO 0.04 0.04 -0.05 0.22 0.37 0.00 0.00 175.52 176.15 1lt6 h TYR 76 N 0.19 -0.12 -0.05 3.16 3.20 -0.90 0.17 116.97 122.62 1lt6 h TYR 76 Ca 0.05 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1lt6 h TYR 76 Cb -0.01 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1lt6 h TYR 76 CO -0.06 0.05 0.05 -0.07 -1.64 0.00 0.00 178.16 176.48 1lt6 h LEU 77 N -0.26 0.00 -1.06 2.82 3.38 -0.68 0.11 115.31 119.62 1lt6 h LEU 77 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lt6 h LEU 77 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1lt6 h LEU 77 CO 0.02 0.00 -0.38 0.35 0.09 0.00 0.00 178.44 178.52 1lt6 n THR 78 N -4.02 0.00 -3.23 0.22 -2.24 0.22 -4.95 114.28 100.29 1lt6 n THR 78 Ca -0.02 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 1lt6 n THR 78 Cb 0.15 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.09 -5.71 -2.62 -0.78 1.02 0.36 -4.94 120.64 108.06 1lt6 n GLU 79 Ca 0.10 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.68 1lt6 n GLU 79 Cb 0.47 -5.77 -0.03 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.21 4.55 0.10 2.62 2.01 0.13 -4.78 115.64 117.05 1lt6 s THR 80 Ca 0.40 1.87 -0.31 0.00 0.31 0.00 0.00 61.69 63.96 1lt6 s THR 80 Cb -0.18 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.06 1lt6 s THR 80 CO 0.49 0.17 1.36 -0.75 -0.69 0.00 0.00 174.62 175.21 1lt6 s LYS 81 N 0.84 4.33 -0.17 4.92 2.20 -1.26 -4.50 119.74 126.10 1lt6 s LYS 81 Ca 0.53 2.02 -0.14 0.00 -0.36 0.00 0.00 55.97 58.02 1lt6 s LYS 81 Cb -0.24 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1lt6 s LYS 81 CO 0.29 -0.42 0.32 0.42 -0.36 0.00 0.00 175.35 175.59 1lt6 s ILE 82 N 1.22 5.28 0.00 5.43 1.01 -0.62 -4.15 121.20 129.37 1lt6 s ILE 82 Ca 0.64 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1lt6 s ILE 82 Cb -0.35 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1lt6 s ILE 82 CO 0.30 0.36 0.00 -0.67 0.00 0.00 0.00 174.94 174.93 1lt6 n ASP 83 N 3.74 0.00 -4.24 3.58 2.03 0.52 -0.05 116.55 122.14 1lt6 n ASP 83 Ca -0.11 0.36 -0.17 0.00 0.52 0.00 0.00 54.79 55.39 1lt6 n ASP 83 Cb 0.52 -0.39 -0.11 0.00 -0.72 0.00 0.00 41.12 40.42 1lt6 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lt6 s LYS 84 N -0.77 1.01 0.00 -0.67 1.02 -1.18 -0.86 119.74 118.29 1lt6 s LYS 84 Ca 0.00 -1.28 0.06 0.00 0.02 0.00 0.00 55.97 54.77 1lt6 s LYS 84 Cb 0.00 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.50 1lt6 s LYS 84 CO 0.00 0.14 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.86 1lt6 s LEU 85 N -2.63 2.08 -0.27 3.17 1.43 -0.66 -0.89 118.68 120.90 1lt6 s LEU 85 Ca 0.10 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1lt6 s LEU 85 Cb -0.03 -1.00 0.05 0.00 0.03 0.00 0.00 46.19 45.24 1lt6 s LEU 85 CO 0.02 0.22 -0.06 0.00 0.23 0.00 0.00 176.35 176.76 1lt6 s VAL 87 N 1.20 1.76 -0.03 0.00 -7.23 -0.61 0.26 120.40 115.76 1lt6 s VAL 87 Ca -0.06 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1lt6 s VAL 87 Cb -0.19 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 1lt6 s VAL 87 CO -0.03 0.22 1.04 0.26 -0.31 0.00 0.00 175.10 176.28 1lt6 s TRP 88 N -0.82 3.53 -0.24 2.82 0.51 0.54 -1.39 118.94 123.89 1lt6 s TRP 88 Ca 0.08 1.56 0.14 0.00 -2.12 0.00 0.00 56.10 55.77 1lt6 s TRP 88 Cb -0.09 -3.21 0.80 0.00 -0.81 0.00 0.00 33.47 30.16 1lt6 s TRP 88 CO 0.02 -0.37 1.74 0.27 -0.51 0.00 0.00 176.95 178.10 1lt6 n ASN 89 N 4.42 5.60 -1.47 2.95 2.04 0.71 -1.96 115.26 127.55 1lt6 n ASN 89 Ca 0.08 -2.96 0.09 0.00 -0.44 0.00 0.00 54.58 51.34 1lt6 n ASN 89 Cb 0.49 -0.68 0.34 0.00 -2.53 0.00 0.00 39.78 37.40 1lt6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1lt6 n ASN 90 N 0.50 4.63 -4.22 0.53 6.94 -1.26 -4.94 115.26 117.45 1lt6 n ASN 90 Ca 0.28 -2.52 -0.19 0.00 -0.02 0.00 0.00 54.58 52.13 1lt6 n ASN 90 Cb 1.20 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 37.94 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 -1.97 0.95 -0.16 -3.83 -0.14 -1.26 -5.10 119.74 108.23 1lt6 s LYS 91 Ca 0.48 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 1lt6 s LYS 91 Cb 0.32 -0.96 0.03 0.00 -1.68 0.00 0.00 37.83 35.55 1lt6 s LYS 91 CO 0.22 0.21 -0.10 0.95 -0.76 0.00 0.00 175.35 175.86 1lt6 s THR 92 N -1.55 1.42 0.84 2.17 -4.23 -1.26 -2.41 115.64 110.61 1lt6 s THR 92 Ca 0.03 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 1lt6 s THR 92 Cb -0.08 -1.44 0.09 0.00 1.34 0.00 0.00 72.50 72.41 1lt6 s THR 92 CO 0.03 0.30 1.11 -2.16 -0.54 0.00 0.00 174.62 173.36 1lt6 s PRO 93 N 1.52 1.75 0.39 3.99 0.04 -1.26 -5.06 135.00 136.37 1lt6 s PRO 93 Ca 0.02 0.53 -0.25 0.00 0.04 0.00 0.00 61.00 61.35 1lt6 s PRO 93 Cb -0.14 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 1lt6 s PRO 93 CO -0.09 -1.83 0.94 0.09 0.04 0.00 0.00 177.00 176.15 1lt6 n ASN 94 N -3.56 0.95 -4.78 6.66 5.03 -1.01 -4.50 115.26 114.05 1lt6 n ASN 94 Ca 0.07 1.04 -0.37 0.00 0.87 0.00 0.00 54.58 56.19 1lt6 n ASN 94 Cb 0.57 -1.30 -0.06 0.00 -1.02 0.00 0.00 39.78 37.96 1lt6 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lt6 s SER 95 N -0.74 6.64 -0.09 6.41 0.15 -0.83 -1.13 113.70 124.11 1lt6 s SER 95 Ca 0.62 0.75 -0.30 0.00 0.70 0.00 0.00 55.95 57.73 1lt6 s SER 95 Cb -0.59 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.48 1lt6 s SER 95 CO 0.57 0.20 1.04 -0.63 1.20 0.00 0.00 173.24 175.63 1lt6 s ILE 96 N -0.28 4.69 -0.21 6.45 1.01 -0.30 -0.34 121.20 132.23 1lt6 s ILE 96 Ca 0.21 1.96 -0.03 0.00 0.00 0.00 0.00 60.65 62.80 1lt6 s ILE 96 Cb -0.15 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 1lt6 s ILE 96 CO 0.09 0.01 -0.22 0.00 0.00 0.00 0.00 174.94 174.82 1lt6 n ALA 97 N 4.96 1.56 -2.80 9.38 0.00 0.14 -4.90 120.51 128.85 1lt6 n ALA 97 Ca 0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1lt6 n ALA 97 Cb 0.48 0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.41 -0.45 0.02 0.00 0.00 -0.77 -4.99 121.76 113.16 1lt6 s ALA 98 Ca -0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1lt6 s ALA 98 Cb 0.09 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1lt6 s ALA 98 CO 0.45 -0.45 -0.00 -1.50 0.00 0.00 0.00 175.76 174.25 1lt6 s ILE 99 N -3.14 0.12 0.03 0.00 2.07 -1.26 -0.88 121.20 118.14 1lt6 s ILE 99 Ca -0.01 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 1lt6 s ILE 99 Cb 0.01 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1lt6 s ILE 99 CO -0.07 -0.55 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.41 1lt6 s SER 100 N -1.66 0.71 -0.03 4.50 1.04 -0.07 -4.99 113.70 113.19 1lt6 s SER 100 Ca -0.13 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 55.91 1lt6 s SER 100 Cb -0.07 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1lt6 s SER 100 CO -0.02 -0.15 -0.14 -0.04 0.98 0.00 0.00 173.24 173.87 1lt6 s MET 101 N -1.21 1.36 -0.03 4.02 -1.94 -1.26 -0.36 119.30 119.88 1lt6 s MET 101 Ca -0.08 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.46 1lt6 s MET 101 Cb -0.08 -1.24 -0.01 0.00 2.01 0.00 0.00 34.83 35.51 1lt6 s MET 101 CO 0.00 0.23 -0.18 0.21 -0.01 0.00 0.00 175.02 175.27 1lt6 s LYS 102 N -0.03 1.71 0.00 2.03 2.20 -1.26 -4.87 119.74 119.52 1lt6 s LYS 102 Ca -0.01 -0.65 0.15 0.00 -0.36 0.00 0.00 55.97 55.10 1lt6 s LYS 102 Cb -0.09 -1.55 0.12 0.00 -1.51 0.00 0.00 37.83 34.80 1lt6 s LYS 102 CO 0.01 0.32 0.98 -1.71 -0.36 0.00 0.00 175.35 174.59