#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lt6 s PRO 2 N 0.00 2.26 -0.01 0.00 0.02 -1.26 -4.93 135.00 131.07 1lt6 s PRO 2 Ca 0.00 1.78 0.16 0.00 0.02 0.00 0.00 61.00 62.95 1lt6 s PRO 2 Cb 0.00 -1.85 -0.21 0.00 0.02 0.00 0.00 34.50 32.46 1lt6 s PRO 2 CO 0.00 -1.75 0.48 1.04 -0.33 0.00 0.00 177.00 176.44 1lt6 n GLN 3 N -2.56 1.07 -4.07 5.54 1.13 -1.26 -4.98 117.38 112.24 1lt6 n GLN 3 Ca 0.13 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.01 1lt6 n GLN 3 Cb 0.50 -1.32 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.84 0.07 0.17 5.09 -4.23 -1.26 -5.05 115.64 107.59 1lt6 s THR 4 Ca -0.01 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1lt6 s THR 4 Cb 0.11 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.97 1lt6 s THR 4 CO 0.65 -0.32 1.61 -0.29 -0.54 0.00 0.00 174.62 175.73 1lt6 h ILE 5 N 2.67 1.27 -0.72 2.99 2.10 -1.97 -0.92 117.51 122.93 1lt6 h ILE 5 Ca -0.33 -1.24 0.07 0.00 1.08 0.00 0.00 64.86 64.43 1lt6 h ILE 5 Cb 1.22 0.91 -0.06 0.00 -1.09 0.00 0.00 36.82 37.80 1lt6 h ILE 5 CO 0.53 0.44 0.40 0.00 -1.08 0.00 0.00 178.15 178.44 1lt6 h THR 6 N 0.94 0.95 -0.33 2.19 1.03 -1.98 0.37 112.91 116.08 1lt6 h THR 6 Ca 0.15 -0.25 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 1lt6 h THR 6 Cb 0.65 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 67.88 1lt6 h THR 6 CO 0.04 0.13 0.14 -0.08 -0.01 0.00 0.00 175.52 175.75 1lt6 h GLU 7 N 0.72 0.48 -0.31 0.00 4.81 -1.84 -1.41 114.58 117.03 1lt6 h GLU 7 Ca 0.33 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1lt6 h GLU 7 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1lt6 h GLU 7 CO -0.20 0.46 -0.33 1.25 -0.73 0.00 0.00 179.01 179.46 1lt6 h LEU 8 N 0.38 0.70 -1.18 1.64 6.46 -0.20 -2.83 115.31 120.29 1lt6 h LEU 8 Ca 0.11 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1lt6 h LEU 8 Cb 0.15 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1lt6 h LEU 8 CO -0.01 0.97 -0.04 0.00 -0.62 0.00 0.00 178.44 178.74 1lt6 h SER 10 N 0.50 0.00 0.00 0.00 4.64 -1.00 -2.67 113.55 115.02 1lt6 h SER 10 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1lt6 h SER 10 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1lt6 h SER 10 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1lt6 n GLU 11 N -2.88 0.78 -4.23 4.77 1.02 -1.09 -4.78 120.64 114.22 1lt6 n GLU 11 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1lt6 n GLU 11 Cb 0.25 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.00 1.33 0.36 -0.32 1.51 -1.01 -5.15 117.35 112.07 1lt6 s TYR 12 Ca 0.22 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1lt6 s TYR 12 Cb 0.10 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1lt6 s TYR 12 CO 0.17 0.12 0.54 1.03 -1.11 0.00 0.00 175.55 176.30 1lt6 s ARG 13 N -2.81 3.31 -1.96 -0.62 3.00 -1.26 -4.22 118.95 114.39 1lt6 s ARG 13 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 55.73 55.28 1lt6 s ARG 13 Cb -0.04 -2.69 0.00 0.00 0.00 0.00 0.00 34.95 32.22 1lt6 s ARG 13 CO 0.02 0.07 0.00 0.09 0.00 0.00 0.00 175.30 175.48 1lt6 n ASN 14 N -1.79 -5.06 -4.92 0.23 5.03 -1.26 -4.95 115.26 102.54 1lt6 n ASN 14 Ca -0.03 0.41 -0.20 0.00 0.87 0.00 0.00 54.58 55.63 1lt6 n ASN 14 Cb 0.57 -4.47 -0.02 0.00 -1.02 0.00 0.00 39.78 34.83 1lt6 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1lt6 s THR 15 N -2.66 3.84 -0.28 3.41 2.01 -1.26 -0.25 115.64 120.45 1lt6 s THR 15 Ca 0.00 -1.20 -0.23 0.00 0.31 0.00 0.00 61.69 60.57 1lt6 s THR 15 Cb 0.00 -3.31 0.11 0.00 0.01 0.00 0.00 72.50 69.31 1lt6 s THR 15 CO 0.00 -0.17 0.93 -1.58 -0.69 0.00 0.00 174.62 173.10 1lt6 s GLN 16 N -4.07 0.59 -0.05 4.92 0.74 -0.11 -4.80 119.66 116.88 1lt6 s GLN 16 Ca 0.42 0.75 -0.20 0.00 0.05 0.00 0.00 55.36 56.38 1lt6 s GLN 16 Cb -0.08 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1lt6 s GLN 16 CO 0.29 -0.08 0.57 0.42 -0.55 0.00 0.00 175.29 175.94 1lt6 s ILE 17 N 0.47 5.02 -0.17 -2.34 -1.09 -1.26 -1.13 121.20 120.70 1lt6 s ILE 17 Ca 0.00 1.17 -0.01 0.00 -2.23 0.00 0.00 60.65 59.59 1lt6 s ILE 17 Cb -0.05 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1lt6 s ILE 17 CO -0.06 0.37 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.58 1lt6 s TYR 18 N 0.15 2.82 -0.61 3.97 1.51 0.66 -4.98 117.35 120.87 1lt6 s TYR 18 Ca 0.30 -1.02 -0.18 0.00 -1.01 0.00 0.00 57.07 55.17 1lt6 s TYR 18 Cb -0.17 -1.93 0.12 0.00 -0.11 0.00 0.00 41.96 39.87 1lt6 s TYR 18 CO 0.15 -0.48 0.68 -0.08 -1.11 0.00 0.00 175.55 174.71 1lt6 s THR 19 N 0.93 4.96 -0.05 -0.71 -1.32 -1.26 -1.26 115.64 116.93 1lt6 s THR 19 Ca -0.03 -1.25 -0.12 0.00 -1.21 0.00 0.00 61.69 59.08 1lt6 s THR 19 Cb -0.15 -4.47 -0.07 0.00 -1.51 0.00 0.00 72.50 66.31 1lt6 s THR 19 CO -0.01 -1.08 0.51 0.40 -2.21 0.00 0.00 174.62 172.23 1lt6 h ILE 20 N 5.83 0.00 -6.04 5.08 1.08 -1.07 -3.49 117.51 118.90 1lt6 h ILE 20 Ca -0.25 -0.68 -0.39 0.00 -0.39 0.00 0.00 64.86 63.16 1lt6 h ILE 20 Cb 1.08 0.01 0.11 0.00 -3.07 0.00 0.00 36.82 34.95 1lt6 h ILE 20 CO 1.06 0.00 -0.91 -3.20 -0.69 0.00 0.00 178.15 174.41 1lt6 n ASN 21 N -5.07 -5.68 0.00 1.72 5.15 -0.03 -4.97 115.26 106.38 1lt6 n ASN 21 Ca -0.05 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1lt6 n ASN 21 Cb 0.17 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.62 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1lt6 n ASP 22 N -2.78 0.00 -4.76 1.20 2.03 -0.89 -4.94 116.55 106.40 1lt6 n ASP 22 Ca -0.09 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.95 1lt6 n ASP 22 Cb 0.60 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.09 1lt6 n ASP 22 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1lt6 s LYS 23 N -2.00 1.82 0.44 -0.67 -2.85 -1.26 -0.04 119.74 115.18 1lt6 s LYS 23 Ca 0.00 -0.27 -0.22 0.00 -1.00 0.00 0.00 55.97 54.49 1lt6 s LYS 23 Cb 0.00 -2.07 -0.09 0.00 -2.06 0.00 0.00 37.83 33.61 1lt6 s LYS 23 CO 0.00 -1.55 1.02 0.42 0.10 0.00 0.00 175.35 175.34 1lt6 s ILE 24 N -3.43 3.89 -0.20 3.79 1.01 -1.26 -4.77 121.20 120.23 1lt6 s ILE 24 Ca 0.64 1.28 -0.18 0.00 0.00 0.00 0.00 60.65 62.38 1lt6 s ILE 24 Cb -0.09 -3.57 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 1lt6 s ILE 24 CO 0.47 -0.16 0.09 -0.11 0.00 0.00 0.00 174.94 175.23 1lt6 n LEU 25 N -0.56 1.85 -4.21 2.97 7.94 -0.20 -5.00 117.00 119.80 1lt6 n LEU 25 Ca 0.07 0.46 -0.15 0.00 -1.11 0.00 0.00 56.01 55.29 1lt6 n LEU 25 Cb 0.52 -0.94 -0.11 0.00 0.53 0.00 0.00 43.42 43.43 1lt6 n LEU 25 CO 0.41 0.12 -0.42 -0.94 -1.11 0.00 0.00 177.39 175.45 1lt6 s SER 26 N -6.64 1.67 -0.08 1.96 1.04 -1.20 -5.00 113.70 105.45 1lt6 s SER 26 Ca -0.26 -0.88 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1lt6 s SER 26 Cb 0.06 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1lt6 s SER 26 CO 0.50 -0.27 -0.04 -0.47 0.98 0.00 0.00 173.24 173.95 1lt6 s TYR 27 N -2.70 1.02 -0.07 5.02 6.14 -1.26 -3.10 117.35 122.39 1lt6 s TYR 27 Ca 0.10 -0.40 0.04 0.00 0.64 0.00 0.00 57.07 57.45 1lt6 s TYR 27 Cb -0.01 -0.96 -0.00 0.00 0.42 0.00 0.00 41.96 41.41 1lt6 s TYR 27 CO 0.01 -0.38 -0.21 0.99 0.64 0.00 0.00 175.55 176.59 1lt6 s THR 28 N 1.69 1.81 -0.05 4.34 2.01 -0.35 -5.00 115.64 120.10 1lt6 s THR 28 Ca 0.02 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1lt6 s THR 28 Cb -0.13 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1lt6 s THR 28 CO -0.05 0.51 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.50 1lt6 s GLU 29 N 0.20 2.00 -0.03 4.92 2.12 -1.26 -1.18 118.70 125.46 1lt6 s GLU 29 Ca -0.12 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.58 1lt6 s GLU 29 Cb -0.15 -1.70 -0.00 0.00 0.26 0.00 0.00 34.13 32.53 1lt6 s GLU 29 CO 0.06 0.26 -0.14 0.45 -0.54 0.00 0.00 175.26 175.35 1lt6 s SER 30 N 0.05 1.73 -0.11 -1.70 0.15 -0.66 -5.00 113.70 108.15 1lt6 s SER 30 Ca -0.05 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.48 1lt6 s SER 30 Cb -0.12 -0.45 0.25 0.00 -1.71 0.00 0.00 66.02 63.98 1lt6 s SER 30 CO 0.03 0.12 1.13 1.15 1.20 0.00 0.00 173.24 176.87 1lt6 n MET 31 N 3.18 1.63 -2.48 5.44 0.00 -1.26 -2.47 117.12 121.16 1lt6 n MET 31 Ca -0.18 -2.40 -0.42 0.00 0.00 0.00 0.00 57.70 54.70 1lt6 n MET 31 Cb 0.54 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.30 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 -2.55 3.37 -0.17 3.17 0.00 -1.26 -4.85 121.76 119.46 1lt6 s ALA 32 Ca 0.27 0.82 -0.42 0.00 0.00 0.00 0.00 51.96 52.63 1lt6 s ALA 32 Cb 0.23 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.77 1lt6 s ALA 32 CO 0.03 -0.33 1.35 0.41 0.00 0.00 0.00 175.76 177.22 1lt6 n GLY 33 N 2.66 0.10 2.84 0.00 0.00 -1.26 -0.33 105.19 109.21 1lt6 n GLY 33 Ca 0.06 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 2.85 -0.27 -2.65 1.61 4.76 -1.26 -4.81 118.16 118.39 1lt6 n LYS 34 Ca 0.24 0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.73 1lt6 n LYS 34 Cb 0.06 -3.33 0.05 0.00 -1.84 0.00 0.00 35.03 29.97 1lt6 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lt6 n ARG 35 N -1.91 1.81 -2.59 1.97 5.12 0.55 -4.95 116.66 116.65 1lt6 n ARG 35 Ca 0.00 -3.48 -0.41 0.00 -1.93 0.00 0.00 57.85 52.03 1lt6 n ARG 35 Cb 0.07 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 29.76 1lt6 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lt6 s GLU 36 N -3.54 3.36 0.28 5.56 8.01 -1.15 -4.20 118.70 127.01 1lt6 s GLU 36 Ca 0.30 -0.69 -0.17 0.00 0.01 0.00 0.00 54.97 54.42 1lt6 s GLU 36 Cb 0.33 -4.67 0.02 0.00 -4.31 0.00 0.00 34.13 25.50 1lt6 s GLU 36 CO -0.04 -2.13 0.65 0.00 0.01 0.00 0.00 175.26 173.74 1lt6 s MET 37 N 5.19 1.76 -0.02 1.61 0.23 -1.03 -4.39 119.30 122.65 1lt6 s MET 37 Ca 0.38 -1.13 0.05 0.00 -1.03 0.00 0.00 55.69 53.96 1lt6 s MET 37 Cb -0.05 0.57 -0.01 0.00 -1.53 0.00 0.00 34.83 33.80 1lt6 s MET 37 CO 0.04 -0.79 -0.17 0.54 -2.03 0.00 0.00 175.02 172.61 1lt6 s VAL 38 N -3.77 1.39 -0.03 5.16 0.11 -1.23 -1.66 120.40 120.37 1lt6 s VAL 38 Ca 0.15 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1lt6 s VAL 38 Cb -0.04 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 1lt6 s VAL 38 CO 0.08 0.40 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.43 1lt6 s ILE 39 N -0.26 1.52 0.03 7.04 1.01 -0.32 -1.72 121.20 128.49 1lt6 s ILE 39 Ca 0.03 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1lt6 s ILE 39 Cb -0.08 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 1lt6 s ILE 39 CO 0.00 0.43 -0.10 0.27 0.00 0.00 0.00 174.94 175.55 1lt6 s ILE 40 N -0.24 0.75 0.23 2.92 -4.36 -0.39 -1.20 121.20 118.91 1lt6 s ILE 40 Ca 0.02 -0.84 0.05 0.00 -0.26 0.00 0.00 60.65 59.62 1lt6 s ILE 40 Cb -0.09 -0.71 -0.05 0.00 1.25 0.00 0.00 42.46 42.85 1lt6 s ILE 40 CO 0.01 -0.10 -0.05 0.42 0.24 0.00 0.00 174.94 175.45 1lt6 s THR 41 N -0.86 1.31 0.25 8.37 -4.23 -1.18 -0.77 115.64 118.54 1lt6 s THR 41 Ca -0.02 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1lt6 s THR 41 Cb -0.07 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1lt6 s THR 41 CO 0.01 -0.42 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.29 1lt6 s PHE 42 N -3.24 1.72 0.41 3.99 0.40 -0.27 -1.03 117.98 119.95 1lt6 s PHE 42 Ca 0.26 -0.85 0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1lt6 s PHE 42 Cb 0.04 -1.01 0.91 0.00 0.51 0.00 0.00 43.02 43.47 1lt6 s PHE 42 CO 0.08 0.07 1.98 -0.22 0.70 0.00 0.00 175.22 177.83 1lt6 h LYS 43 N 2.38 0.53 0.00 0.44 3.64 -1.89 -0.94 116.57 120.72 1lt6 h LYS 43 Ca -0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1lt6 h LYS 43 Cb 1.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1lt6 h LYS 43 CO 0.66 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 177.06 1lt6 n SER 44 N -4.48 0.00 0.00 4.20 3.41 -1.26 -4.81 113.62 110.68 1lt6 n SER 44 Ca 0.09 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1lt6 n SER 44 Cb 0.28 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.51 0.57 3.81 5.00 0.00 -0.36 -5.07 105.19 108.63 1lt6 n GLY 45 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.82 4.00 -0.03 1.61 0.41 -1.25 -4.84 118.70 117.77 1lt6 s GLU 46 Ca 0.00 1.21 -0.01 0.00 -0.41 0.00 0.00 54.97 55.77 1lt6 s GLU 46 Cb 0.00 -2.14 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1lt6 s GLU 46 CO 0.00 -0.24 0.06 0.99 -0.49 0.00 0.00 175.26 175.58 1lt6 s THR 47 N -2.13 -0.06 0.17 3.63 2.01 -1.26 -1.12 115.64 116.87 1lt6 s THR 47 Ca 0.64 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.90 1lt6 s THR 47 Cb -0.12 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1lt6 s THR 47 CO 0.18 0.09 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.75 1lt6 s PHE 48 N 1.14 1.37 0.14 4.92 0.08 0.05 -3.81 117.98 121.88 1lt6 s PHE 48 Ca -0.09 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.24 1lt6 s PHE 48 Cb -0.13 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1lt6 s PHE 48 CO -0.04 0.10 -0.07 1.14 -0.10 0.00 0.00 175.22 176.25 1lt6 s GLN 49 N -3.75 1.02 -0.31 0.44 -2.07 -0.31 -1.26 119.66 113.43 1lt6 s GLN 49 Ca 0.19 -1.44 -0.02 0.00 -1.82 0.00 0.00 55.36 52.27 1lt6 s GLN 49 Cb 0.03 -0.48 0.06 0.00 -1.09 0.00 0.00 33.01 31.53 1lt6 s GLN 49 CO 0.03 0.02 0.02 0.08 -1.32 0.00 0.00 175.29 174.11 1lt6 s VAL 50 N -3.45 2.99 0.70 3.63 1.01 -0.70 -1.34 120.40 123.24 1lt6 s VAL 50 Ca 0.17 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1lt6 s VAL 50 Cb 0.04 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1lt6 s VAL 50 CO 0.00 -0.17 0.78 -0.62 0.00 0.00 0.00 175.10 175.09 1lt6 n GLU 51 N 4.61 0.48 -2.23 2.72 1.02 -1.26 -3.55 120.64 122.43 1lt6 n GLU 51 Ca -0.12 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1lt6 n GLU 51 Cb 0.43 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.80 3.02 0.33 2.62 1.01 -1.26 -4.93 120.40 119.38 1lt6 s VAL 52 Ca 0.71 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1lt6 s VAL 52 Cb -0.36 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1lt6 s VAL 52 CO 0.53 0.22 1.42 -2.65 0.00 0.00 0.00 175.10 174.62 1lt6 n PRO 53 N 1.25 2.39 -0.81 2.72 -0.02 -1.26 -4.97 135.00 134.29 1lt6 n PRO 53 Ca 0.01 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1lt6 n PRO 53 Cb 0.43 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.16 2.36 0.00 -1.23 0.00 -1.26 -5.02 105.19 101.20 1lt6 n GLY 54 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1lt6 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lt6 n SER 55 N -0.85 0.00 -0.28 1.61 3.41 -1.26 -2.31 113.62 113.94 1lt6 n SER 55 Ca 0.00 -1.67 0.12 0.00 -0.26 0.00 0.00 58.87 57.06 1lt6 n SER 55 Cb 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.21 1lt6 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lt6 n GLN 56 N -0.61 0.84 -4.92 4.33 0.00 -1.26 -4.88 117.38 110.87 1lt6 n GLN 56 Ca 0.05 -0.56 -0.32 0.00 0.00 0.00 0.00 57.00 56.17 1lt6 n GLN 56 Cb 0.02 -1.49 -0.13 0.00 0.00 0.00 0.00 30.24 28.64 1lt6 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lt6 s HIS 57 N -2.55 2.63 0.32 2.61 3.76 -0.98 -5.13 115.29 115.96 1lt6 s HIS 57 Ca 0.21 -0.21 -0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1lt6 s HIS 57 Cb 0.19 -1.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.23 1lt6 s HIS 57 CO 0.56 0.16 0.64 0.96 -0.85 0.00 0.00 174.74 176.21 1lt6 s ILE 58 N -0.74 4.91 0.35 0.60 -4.36 -1.26 -4.89 121.20 115.81 1lt6 s ILE 58 Ca 0.12 0.35 0.16 0.00 -0.26 0.00 0.00 60.65 61.01 1lt6 s ILE 58 Cb -0.10 -3.71 0.36 0.00 1.25 0.00 0.00 42.46 40.25 1lt6 s ILE 58 CO 0.01 -0.35 1.60 0.44 0.24 0.00 0.00 174.94 176.87 1lt6 h ASP 59 N 1.67 0.21 -0.07 4.36 3.32 -2.00 0.12 116.42 124.03 1lt6 h ASP 59 Ca -0.47 0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1lt6 h ASP 59 Cb 1.19 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 41.02 1lt6 h ASP 59 CO 0.66 -0.36 0.06 0.77 -1.72 0.00 0.00 179.24 178.64 1lt6 h SER 60 N 0.06 0.00 1.40 6.45 4.64 -2.05 -2.47 113.55 121.58 1lt6 h SER 60 Ca 0.78 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 1lt6 h SER 60 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1lt6 h SER 60 CO -0.76 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 176.76 1lt6 h GLN 61 N 0.00 0.00 -0.57 4.77 4.20 -1.13 -3.36 115.11 119.02 1lt6 h GLN 61 Ca 0.03 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1lt6 h GLN 61 Cb 0.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1lt6 h GLN 61 CO -0.00 0.00 0.33 0.87 -0.67 0.00 0.00 178.83 179.36 1lt6 h LYS 62 N 0.00 0.62 -0.29 1.46 1.57 -1.56 0.33 116.57 118.70 1lt6 h LYS 62 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1lt6 h LYS 62 Cb 0.70 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1lt6 h LYS 62 CO 0.00 0.41 0.02 -0.22 -0.57 0.00 0.00 179.45 179.08 1lt6 h LYS 63 N 0.63 0.49 -0.48 3.15 3.11 -1.79 -2.96 116.57 118.73 1lt6 h LYS 63 Ca 0.24 -0.15 0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1lt6 h LYS 63 Cb 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1lt6 h LYS 63 CO -0.13 0.63 0.32 0.00 -2.81 0.00 0.00 179.45 177.46 1lt6 h ALA 64 N 0.84 1.68 0.21 5.00 0.00 -1.62 -2.44 119.26 122.95 1lt6 h ALA 64 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lt6 h ALA 64 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lt6 h ALA 64 CO 0.01 0.29 -0.14 0.82 0.00 0.00 0.00 179.25 180.23 1lt6 h ILE 65 N 0.62 0.71 -0.98 0.00 2.04 -0.77 -0.95 117.51 118.18 1lt6 h ILE 65 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 1lt6 h ILE 65 Cb -0.04 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1lt6 h ILE 65 CO -0.04 0.00 0.64 -0.33 0.00 0.00 0.00 178.15 178.42 1lt6 h GLU 66 N -0.34 1.15 -0.68 2.37 4.39 -1.44 -1.38 114.58 118.65 1lt6 h GLU 66 Ca -0.02 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1lt6 h GLU 66 Cb 0.29 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1lt6 h GLU 66 CO 0.02 0.76 0.36 -0.09 -1.16 0.00 0.00 179.01 178.89 1lt6 h ARG 67 N 1.18 0.96 -0.80 2.33 2.43 -1.11 -0.99 114.38 118.39 1lt6 h ARG 67 Ca 0.41 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1lt6 h ARG 67 Cb 0.10 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 1lt6 h ARG 67 CO -0.14 0.73 0.50 1.98 -1.51 0.00 0.00 179.97 181.53 1lt6 h MET 68 N 0.94 0.94 -0.56 0.20 4.05 -0.05 0.13 114.93 120.58 1lt6 h MET 68 Ca 0.24 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1lt6 h MET 68 Cb 0.07 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 1lt6 h MET 68 CO -0.04 0.62 0.25 0.87 0.23 0.00 0.00 176.91 178.85 1lt6 h LYS 69 N 0.97 0.83 -0.37 0.39 1.57 -1.05 0.24 116.57 119.15 1lt6 h LYS 69 Ca 0.33 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1lt6 h LYS 69 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1lt6 h LYS 69 CO -0.13 0.69 0.18 -0.44 -0.57 0.00 0.00 179.45 179.18 1lt6 h ASP 70 N 0.77 0.49 -0.53 0.86 3.32 -0.11 -1.86 116.42 119.36 1lt6 h ASP 70 Ca 0.19 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1lt6 h ASP 70 Cb 0.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1lt6 h ASP 70 CO -0.02 0.48 0.34 0.74 -1.72 0.00 0.00 179.24 179.05 1lt6 h THR 71 N 0.46 1.10 -0.39 0.35 2.02 -0.35 -2.58 112.91 113.53 1lt6 h THR 71 Ca 0.13 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1lt6 h THR 71 Cb 0.12 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1lt6 h THR 71 CO -0.02 0.12 -0.09 -0.07 0.37 0.00 0.00 175.52 175.83 1lt6 h LEU 72 N 0.68 0.65 0.67 2.58 3.38 -0.81 -1.13 115.31 121.33 1lt6 h LEU 72 Ca 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1lt6 h LEU 72 Cb -0.04 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1lt6 h LEU 72 CO -0.06 0.78 -0.32 -0.09 0.09 0.00 0.00 178.44 178.83 1lt6 h ARG 73 N 0.61 -0.87 -0.61 1.13 2.43 -1.05 -2.01 114.38 114.01 1lt6 h ARG 73 Ca 0.11 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1lt6 h ARG 73 Cb 0.52 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1lt6 h ARG 73 CO 0.03 -0.58 0.40 0.97 -1.51 0.00 0.00 179.97 179.28 1lt6 h ILE 74 N -1.00 1.03 -0.52 1.20 6.09 -1.44 0.06 117.51 122.92 1lt6 h ILE 74 Ca -0.09 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 63.16 1lt6 h ILE 74 Cb 0.69 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.29 1lt6 h ILE 74 CO 0.15 0.12 0.26 0.74 -3.07 0.00 0.00 178.15 176.35 1lt6 h THR 75 N 0.63 1.19 -0.33 2.19 2.02 -1.20 0.33 112.91 117.74 1lt6 h THR 75 Ca 0.26 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1lt6 h THR 75 Cb 0.21 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1lt6 h THR 75 CO -0.07 0.21 0.08 0.22 0.37 0.00 0.00 175.52 176.33 1lt6 h TYR 76 N 0.69 0.56 -0.62 3.16 3.20 -0.50 -0.92 116.97 122.55 1lt6 h TYR 76 Ca 0.18 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1lt6 h TYR 76 Cb 0.10 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1lt6 h TYR 76 CO -0.01 0.58 0.37 -0.07 -1.64 0.00 0.00 178.16 177.39 1lt6 h LEU 77 N 0.38 0.60 -0.35 2.82 4.07 -0.53 -2.34 115.31 119.97 1lt6 h LEU 77 Ca 0.10 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1lt6 h LEU 77 Cb 0.30 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1lt6 h LEU 77 CO 0.00 0.41 -0.00 0.35 -1.08 0.00 0.00 178.44 178.12 1lt6 n THR 78 N -4.74 0.00 -2.15 0.22 -2.24 0.11 -4.88 114.28 100.60 1lt6 n THR 78 Ca 0.06 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1lt6 n THR 78 Cb 0.10 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.59 -1.50 -1.98 -0.78 1.02 -0.74 -4.92 120.64 111.15 1lt6 n GLU 79 Ca 0.22 1.01 -0.40 0.00 -0.02 0.00 0.00 57.16 57.97 1lt6 n GLU 79 Cb 0.20 -5.52 0.00 0.00 -0.02 0.00 0.00 31.44 26.11 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 -2.90 2.46 -0.01 2.62 2.01 -0.43 -4.78 115.64 114.61 1lt6 s THR 80 Ca 0.00 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 1lt6 s THR 80 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1lt6 s THR 80 CO 0.00 0.06 0.57 -1.59 -0.69 0.00 0.00 174.62 172.97 1lt6 s LYS 81 N -2.27 4.28 -0.06 4.92 0.00 -1.26 -4.22 119.74 121.13 1lt6 s LYS 81 Ca 0.57 0.68 -0.15 0.00 0.00 0.00 0.00 55.97 57.07 1lt6 s LYS 81 Cb -0.40 -3.34 -0.05 0.00 0.00 0.00 0.00 37.83 34.04 1lt6 s LYS 81 CO 0.51 0.38 0.40 0.42 0.00 0.00 0.00 175.35 177.06 1lt6 s ILE 82 N -0.19 5.13 0.00 3.79 -1.09 0.94 -4.76 121.20 125.02 1lt6 s ILE 82 Ca 0.30 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1lt6 s ILE 82 Cb -0.18 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1lt6 s ILE 82 CO 0.16 0.49 0.00 -0.67 -1.23 0.00 0.00 174.94 173.70 1lt6 n ASP 83 N 2.52 0.00 -4.17 3.58 2.03 0.20 -0.85 116.55 119.86 1lt6 n ASP 83 Ca -0.12 0.23 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 1lt6 n ASP 83 Cb 0.52 -0.32 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.64 0.84 -0.04 -0.67 1.02 -1.14 -0.56 119.74 118.55 1lt6 s LYS 84 Ca 0.00 -1.23 0.03 0.00 0.02 0.00 0.00 55.97 54.78 1lt6 s LYS 84 Cb 0.00 -0.38 0.01 0.00 -0.52 0.00 0.00 37.83 36.94 1lt6 s LYS 84 CO 0.00 0.03 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.85 1lt6 s LEU 85 N -2.72 1.72 -0.20 3.17 1.43 -0.39 -0.48 118.68 121.21 1lt6 s LEU 85 Ca 0.08 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 1lt6 s LEU 85 Cb 0.01 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1lt6 s LEU 85 CO -0.02 0.06 0.11 0.00 0.23 0.00 0.00 176.35 176.72 1lt6 s VAL 87 N 0.53 0.20 -0.28 0.00 -7.23 -0.28 -0.79 120.40 112.55 1lt6 s VAL 87 Ca 0.06 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 58.57 1lt6 s VAL 87 Cb -0.12 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 1lt6 s VAL 87 CO 0.00 -0.79 0.65 0.26 -0.31 0.00 0.00 175.10 174.91 1lt6 s TRP 88 N -2.90 3.25 -0.97 2.82 0.51 0.54 -0.94 118.94 121.24 1lt6 s TRP 88 Ca -0.02 0.72 0.08 0.00 -2.12 0.00 0.00 56.10 54.76 1lt6 s TRP 88 Cb 0.01 -2.95 0.40 0.00 -0.81 0.00 0.00 33.47 30.12 1lt6 s TRP 88 CO -0.06 -0.41 1.18 0.27 -0.51 0.00 0.00 176.95 177.41 1lt6 n ASN 89 N 5.84 3.08 -1.94 2.95 0.23 0.65 -2.24 115.26 123.83 1lt6 n ASN 89 Ca -0.00 -2.35 -0.02 0.00 -0.53 0.00 0.00 54.58 51.67 1lt6 n ASN 89 Cb 0.49 -0.51 0.33 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.40 5.06 -4.05 0.53 2.04 -1.26 -4.91 115.26 113.07 1lt6 n ASN 90 Ca 0.14 -3.15 -0.09 0.00 -0.44 0.00 0.00 54.58 51.03 1lt6 n ASN 90 Cb 0.63 -0.73 -0.11 0.00 -2.53 0.00 0.00 39.78 37.05 1lt6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1lt6 s LYS 91 N -2.94 0.50 -0.15 -3.83 3.01 -1.26 -5.09 119.74 109.99 1lt6 s LYS 91 Ca 0.55 -0.89 -0.01 0.00 -1.01 0.00 0.00 55.97 54.60 1lt6 s LYS 91 Cb 0.43 0.02 0.04 0.00 -1.01 0.00 0.00 37.83 37.32 1lt6 s LYS 91 CO 0.14 -0.04 -0.02 0.99 0.51 0.00 0.00 175.35 176.92 1lt6 s THR 92 N -2.38 0.83 0.98 2.17 2.01 -1.26 -2.72 115.64 115.26 1lt6 s THR 92 Ca -0.05 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1lt6 s THR 92 Cb -0.03 -1.06 0.18 0.00 0.01 0.00 0.00 72.50 71.60 1lt6 s THR 92 CO -0.04 0.10 1.11 -2.16 -0.69 0.00 0.00 174.62 172.94 1lt6 s PRO 93 N 1.76 0.56 0.35 4.92 0.04 -1.26 -5.07 135.00 136.30 1lt6 s PRO 93 Ca 0.01 0.39 -0.29 0.00 0.04 0.00 0.00 61.00 61.16 1lt6 s PRO 93 Cb -0.15 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1lt6 s PRO 93 CO -0.07 -2.61 1.48 0.09 0.04 0.00 0.00 177.00 175.93 1lt6 n ASN 94 N -4.07 3.64 -4.67 6.66 3.02 -1.10 -4.56 115.26 114.18 1lt6 n ASN 94 Ca 0.06 1.20 -0.39 0.00 -0.03 0.00 0.00 54.58 55.43 1lt6 n ASN 94 Cb 0.58 -1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 1lt6 n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lt6 s SER 95 N 0.00 6.51 0.13 6.41 0.15 -0.95 -1.16 113.70 124.79 1lt6 s SER 95 Ca 0.56 0.61 -0.31 0.00 0.70 0.00 0.00 55.95 57.51 1lt6 s SER 95 Cb -0.50 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.45 1lt6 s SER 95 CO 0.60 -0.14 1.55 -0.63 1.20 0.00 0.00 173.24 175.82 1lt6 s ILE 96 N 1.50 2.88 -0.14 6.45 1.01 -0.45 -0.34 121.20 132.11 1lt6 s ILE 96 Ca 0.22 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.49 1lt6 s ILE 96 Cb -0.15 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 38.83 1lt6 s ILE 96 CO 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 174.94 175.00 1lt6 n ALA 97 N 4.42 1.68 -3.66 9.38 0.00 0.03 -4.87 120.51 127.47 1lt6 n ALA 97 Ca 0.14 -0.73 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 1lt6 n ALA 97 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.31 -1.60 0.01 0.00 0.00 -0.90 -4.98 121.76 111.98 1lt6 s ALA 98 Ca -0.15 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 1lt6 s ALA 98 Cb 0.05 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1lt6 s ALA 98 CO 0.42 -0.91 0.21 -1.50 0.00 0.00 0.00 175.76 173.98 1lt6 s ILE 99 N -3.45 0.08 0.06 0.00 2.07 -1.26 -1.46 121.20 117.25 1lt6 s ILE 99 Ca 0.08 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.67 1lt6 s ILE 99 Cb -0.02 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 1lt6 s ILE 99 CO -0.02 -0.37 -0.08 -0.94 -1.91 0.00 0.00 174.94 171.61 1lt6 s SER 100 N -1.58 1.07 0.03 4.50 1.04 0.37 -4.99 113.70 114.14 1lt6 s SER 100 Ca -0.12 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1lt6 s SER 100 Cb -0.05 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 1lt6 s SER 100 CO 0.01 -0.25 -0.01 0.23 0.98 0.00 0.00 173.24 174.20 1lt6 n MET 101 N 1.03 0.01 -1.68 4.02 2.81 -1.26 -0.63 117.12 121.42 1lt6 n MET 101 Ca -0.20 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1lt6 n MET 101 Cb 0.56 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.83 1lt6 n MET 101 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1lt6 n LYS 102 N -2.92 -4.67 -0.26 0.03 4.81 -1.26 -3.55 118.16 110.33 1lt6 n LYS 102 Ca -0.00 3.37 0.00 0.00 -0.87 0.00 0.00 58.31 60.81 1lt6 n LYS 102 Cb 0.01 -3.70 0.00 0.00 0.02 0.00 0.00 35.03 31.37 1lt6 n LYS 102 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66