#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xne s LYS 2 N 0.00 3.62 0.01 2.12 3.01 -1.26 -4.87 119.74 122.37 1xne s LYS 2 Ca 0.00 0.44 0.06 0.00 -1.01 0.00 0.00 55.97 55.46 1xne s LYS 2 Cb 0.00 -2.28 -0.02 0.00 -1.01 0.00 0.00 37.83 34.52 1xne s LYS 2 CO 0.00 -0.28 -0.19 0.08 0.51 0.00 0.00 175.35 175.46 1xne s VAL 3 N -2.79 1.55 -0.29 3.17 1.01 -1.25 0.99 120.40 122.77 1xne s VAL 3 Ca 0.51 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1xne s VAL 3 Cb -0.10 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 35.04 1xne s VAL 3 CO 0.44 0.30 0.02 -0.31 0.00 0.00 0.00 175.10 175.56 1xne s TYR 4 N -0.62 2.67 -0.67 5.22 1.51 0.23 -4.93 117.35 120.76 1xne s TYR 4 Ca 0.07 -2.18 -0.25 0.00 -1.01 0.00 0.00 57.07 53.71 1xne s TYR 4 Cb -0.08 -2.07 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1xne s TYR 4 CO 0.00 -0.86 1.09 1.03 -1.11 0.00 0.00 175.55 175.70 1xne s ARG 5 N 1.29 3.19 -0.25 -0.62 0.52 -1.26 0.19 118.95 122.01 1xne s ARG 5 Ca 0.04 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 1xne s ARG 5 Cb -0.18 -4.18 -0.05 0.00 0.52 0.00 0.00 34.95 31.06 1xne s ARG 5 CO -0.12 -1.89 0.21 -0.51 0.02 0.00 0.00 175.30 173.01 1xne s LEU 6 N 4.70 4.08 -0.31 2.53 1.43 0.30 -4.93 118.68 126.48 1xne s LEU 6 Ca 0.29 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 1xne s LEU 6 Cb -0.13 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1xne s LEU 6 CO 0.14 -0.00 0.97 -0.31 0.23 0.00 0.00 176.35 177.38 1xne s TYR 7 N 1.38 3.18 0.44 0.29 1.51 -1.26 0.84 117.35 123.72 1xne s TYR 7 Ca 0.09 1.07 0.04 0.00 -1.01 0.00 0.00 57.07 57.26 1xne s TYR 7 Cb -0.15 -3.51 -0.05 0.00 -0.11 0.00 0.00 41.96 38.15 1xne s TYR 7 CO 0.07 -0.69 0.02 -0.51 -1.11 0.00 0.00 175.55 173.34 1xne s LEU 8 N 3.39 2.49 0.42 -1.29 1.02 -1.26 -4.88 118.68 118.57 1xne s LEU 8 Ca 0.41 -1.52 0.07 0.00 0.02 0.00 0.00 54.13 53.11 1xne s LEU 8 Cb -0.13 -0.70 0.01 0.00 0.02 0.00 0.00 46.19 45.39 1xne s LEU 8 CO 0.14 -0.68 0.58 -0.75 0.02 0.00 0.00 176.35 175.67 1xne s LYS 9 N -3.80 2.84 0.23 1.70 2.20 -1.26 -4.79 119.74 116.86 1xne s LYS 9 Ca 0.22 -1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 54.67 1xne s LYS 9 Cb 0.06 -2.73 0.23 0.00 -1.51 0.00 0.00 37.83 33.88 1xne s LYS 9 CO 0.11 -0.28 1.62 0.22 -0.36 0.00 0.00 175.35 176.67 1xne h ASP 10 N 0.60 0.65 -0.29 1.43 3.58 -2.01 1.36 116.42 121.75 1xne h ASP 10 Ca -0.41 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 56.76 1xne h ASP 10 Cb 1.28 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1xne h ASP 10 CO 0.47 0.93 0.11 -0.33 -2.88 0.00 0.00 179.24 177.53 1xne h GLU 11 N 0.54 0.44 0.11 0.28 4.39 -2.00 -0.31 114.58 118.04 1xne h GLU 11 Ca 0.06 -0.09 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 1xne h GLU 11 Cb 0.81 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1xne h GLU 11 CO 0.07 0.48 -0.84 1.88 -1.16 0.00 0.00 179.01 179.43 1xne h TYR 12 N 0.32 0.63 -0.74 4.33 0.05 -1.93 -3.30 116.97 116.34 1xne h TYR 12 Ca 0.10 -0.42 0.12 0.00 0.05 0.00 0.00 58.73 58.57 1xne h TYR 12 Cb 0.21 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.82 1xne h TYR 12 CO -0.00 1.30 0.33 1.25 -1.05 0.00 0.00 178.16 179.99 1xne h LEU 13 N -0.21 0.36 -0.96 3.88 5.85 0.18 0.68 115.31 125.09 1xne h LEU 13 Ca -0.14 0.09 0.29 0.00 0.84 0.00 0.00 57.88 58.96 1xne h LEU 13 Cb 1.62 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.54 1xne h LEU 13 CO 0.16 0.17 0.43 -0.08 -0.34 0.00 0.00 178.44 178.79 1xne h GLU 14 N 0.51 0.26 -0.41 1.25 4.81 -1.12 0.65 114.58 120.53 1xne h GLU 14 Ca 0.39 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1xne h GLU 14 Cb 0.52 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xne h GLU 14 CO -0.34 0.17 0.21 0.52 -0.73 0.00 0.00 179.01 178.84 1xne h MET 15 N 0.27 0.59 -0.46 1.92 2.86 -0.99 0.44 114.93 119.56 1xne h MET 15 Ca 0.67 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 58.18 1xne h MET 15 Cb 1.46 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 1xne h MET 15 CO -0.64 0.50 0.11 0.28 1.06 0.00 0.00 176.91 178.22 1xne h VAL 16 N 0.53 1.24 -0.79 -2.22 2.07 0.19 -2.12 116.25 115.15 1xne h VAL 16 Ca 0.14 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1xne h VAL 16 Cb 0.09 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1xne h VAL 16 CO -0.02 0.30 0.34 0.11 0.02 0.00 0.00 177.57 178.32 1xne h LYS 17 N 0.62 1.17 -0.07 1.57 1.79 -0.02 -1.40 116.57 120.22 1xne h LYS 17 Ca 0.14 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1xne h LYS 17 Cb 0.33 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1xne h LYS 17 CO 0.00 0.93 0.05 0.66 -1.08 0.00 0.00 179.45 180.01 1xne h SER 18 N 1.14 0.00 0.00 0.86 4.64 0.27 -3.45 113.55 117.00 1xne h SER 18 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1xne h SER 18 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xne h SER 18 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1xne n GLY 19 N -1.55 0.07 0.29 -0.77 0.00 -0.53 -4.93 105.19 97.78 1xne n GLY 19 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1xne n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xne h LYS 20 N 4.13 0.84 -6.45 1.61 1.57 -1.71 -3.39 116.57 113.16 1xne h LYS 20 Ca 0.00 -0.21 -0.56 0.00 -1.87 0.00 0.00 60.65 58.01 1xne h LYS 20 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1xne h LYS 20 CO 0.00 0.81 1.10 0.21 -0.57 0.00 0.00 179.45 181.00 1xne s LYS 21 N -5.07 3.41 0.00 3.15 2.20 -1.07 -4.46 119.74 117.90 1xne s LYS 21 Ca -0.10 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1xne s LYS 21 Cb 0.15 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1xne s LYS 21 CO 0.81 -1.79 0.00 0.54 -0.36 0.00 0.00 175.35 174.56 1xne n ARG 22 N 8.39 0.00 -3.77 4.03 3.00 -1.26 -4.77 116.66 122.27 1xne n ARG 22 Ca 0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.63 1xne n ARG 22 Cb 0.49 -0.73 -0.10 0.00 0.00 0.00 0.00 32.46 32.12 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1xne s ILE 23 N -1.78 5.07 -0.39 0.55 1.01 -1.26 -2.18 121.20 122.22 1xne s ILE 23 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 1xne s ILE 23 Cb 0.00 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1xne s ILE 23 CO 0.00 0.38 0.27 -0.70 0.00 0.00 0.00 174.94 174.89 1xne s GLU 24 N 0.92 3.06 -0.48 2.79 2.12 0.17 -4.59 118.70 122.69 1xne s GLU 24 Ca 0.06 -0.95 -0.16 0.00 0.36 0.00 0.00 54.97 54.28 1xne s GLU 24 Cb -0.13 -3.89 0.07 0.00 0.26 0.00 0.00 34.13 30.43 1xne s GLU 24 CO 0.03 -0.67 0.45 0.08 -0.54 0.00 0.00 175.26 174.60 1xne s VAL 25 N 1.67 5.15 0.08 3.70 1.01 -1.26 -1.22 120.40 129.52 1xne s VAL 25 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1xne s VAL 25 Cb -0.19 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1xne s VAL 25 CO 0.09 -0.62 0.00 0.54 0.00 0.00 0.00 175.10 175.12 1xne n ARG 26 N 5.44 1.76 -1.09 2.72 1.74 -1.25 -5.01 116.66 120.97 1xne n ARG 26 Ca -0.11 -0.61 -0.23 0.00 -0.77 0.00 0.00 57.85 56.13 1xne n ARG 26 Cb 0.44 0.17 0.13 0.00 -1.02 0.00 0.00 32.46 32.18 1xne n ARG 26 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1xne n VAL 27 N -0.21 3.01 -2.70 1.55 0.24 -1.23 -3.63 118.33 115.37 1xne n VAL 27 Ca -0.03 -1.87 -0.07 0.00 -2.04 0.00 0.00 64.34 60.33 1xne n VAL 27 Cb 0.11 -0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 31.76 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xne n ALA 28 N -0.82 -0.98 -1.32 2.33 0.00 -0.91 -4.01 120.51 114.80 1xne n ALA 28 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 1xne n ALA 28 Cb 1.29 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 19.84 1xne n ALA 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xne n TYR 29 N -2.84 -1.69 -2.33 0.00 9.36 -1.26 -4.49 117.16 113.91 1xne n TYR 29 Ca -0.01 0.39 -0.35 0.00 3.32 0.00 0.00 57.90 61.24 1xne n TYR 29 Cb 0.52 -1.83 -0.03 0.00 -0.63 0.00 0.00 39.34 37.36 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xne s PRO 30 N -1.92 3.20 0.00 2.98 0.04 -1.26 -2.42 135.00 135.62 1xne s PRO 30 Ca 0.62 -1.30 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1xne s PRO 30 Cb -0.42 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 28.79 1xne s PRO 30 CO 0.61 -2.99 0.00 0.94 0.04 0.00 0.00 177.00 175.60 1xne n GLN 31 N 8.52 0.00 -0.07 4.56 0.00 -1.26 -4.95 117.38 124.17 1xne n GLN 31 Ca 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.35 1xne n GLN 31 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.60 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xne n LEU 32 N -1.34 0.42 -0.18 1.69 4.32 -1.20 -4.37 117.00 116.34 1xne n LEU 32 Ca 0.00 -0.01 0.26 0.00 -0.02 0.00 0.00 56.01 56.24 1xne n LEU 32 Cb 0.00 0.22 0.69 0.00 -1.62 0.00 0.00 43.42 42.70 1xne n LEU 32 CO 0.00 0.42 1.25 0.07 -1.22 0.00 0.00 177.39 177.91 1xne h LYS 33 N 0.00 0.06 0.00 3.23 5.09 -1.70 1.48 116.57 124.73 1xne h LYS 33 Ca -0.39 -0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.24 1xne h LYS 33 Cb 1.85 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 34.15 1xne h LYS 33 CO 0.01 0.04 -0.50 -0.44 -2.09 0.00 0.00 179.45 176.47 1xne h ASP 34 N 0.07 0.00 -1.89 7.07 3.32 -1.82 -3.45 116.42 119.72 1xne h ASP 34 Ca 0.42 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.96 1xne h ASP 34 Cb 1.57 0.00 0.24 0.00 0.22 0.00 0.00 39.33 41.36 1xne h ASP 34 CO -0.04 0.50 -1.89 0.00 -1.72 0.00 0.00 179.24 176.09 1xne n ILE 35 N -3.83 0.00 -3.79 0.35 3.06 0.51 -5.01 119.36 110.65 1xne n ILE 35 Ca -0.01 -0.26 -0.04 0.00 -2.50 0.00 0.00 62.75 59.94 1xne n ILE 35 Cb 0.53 -0.17 -0.02 0.00 0.54 0.00 0.00 39.64 40.53 1xne n ILE 35 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1xne s LYS 36 N -2.42 1.37 0.39 9.51 -2.85 -1.26 -4.95 119.74 119.52 1xne s LYS 36 Ca 0.43 -0.76 -0.27 0.00 -1.00 0.00 0.00 55.97 54.37 1xne s LYS 36 Cb -0.08 0.47 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 1xne s LYS 36 CO 0.73 -0.63 1.37 -2.13 0.10 0.00 0.00 175.35 174.79 1xne n ARG 37 N -0.47 2.29 0.00 1.78 0.63 -1.26 -2.47 116.66 117.15 1xne n ARG 37 Ca -0.05 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1xne n ARG 37 Cb 0.60 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 31.02 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xne n GLY 38 N 0.65 2.26 2.90 5.14 0.00 -1.20 -5.02 105.19 109.92 1xne n GLY 38 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1xne n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xne n ASP 39 N 0.00 -1.08 -4.03 1.61 9.92 -1.03 -4.60 116.55 117.34 1xne n ASP 39 Ca 0.00 -1.17 -0.14 0.00 -0.53 0.00 0.00 54.79 52.95 1xne n ASP 39 Cb 0.00 -0.80 -0.12 0.00 -0.64 0.00 0.00 41.12 39.55 1xne n ASP 39 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xne s LYS 40 N -5.11 0.50 -0.09 -1.24 2.20 0.28 -2.20 119.74 114.06 1xne s LYS 40 Ca 0.58 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1xne s LYS 40 Cb -0.04 -0.33 0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1xne s LYS 40 CO 0.43 0.07 -0.11 0.42 -0.36 0.00 0.00 175.35 175.80 1xne s ILE 41 N -0.97 1.19 -0.24 5.43 1.01 0.49 0.77 121.20 128.88 1xne s ILE 41 Ca -0.06 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 1xne s ILE 41 Cb -0.07 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1xne s ILE 41 CO 0.00 0.38 0.09 -0.63 0.00 0.00 0.00 174.94 174.78 1xne s ILE 42 N 1.12 4.59 -0.33 2.92 -1.09 0.51 0.13 121.20 129.05 1xne s ILE 42 Ca -0.06 -0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.11 1xne s ILE 42 Cb -0.14 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1xne s ILE 42 CO -0.02 0.35 0.47 -0.36 -1.23 0.00 0.00 174.94 174.15 1xne s PHE 43 N 1.32 3.20 -0.73 3.97 0.40 0.67 0.11 117.98 126.92 1xne s PHE 43 Ca 0.05 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.60 1xne s PHE 43 Cb -0.15 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1xne s PHE 43 CO 0.04 -0.46 0.00 0.09 0.70 0.00 0.00 175.22 175.60 1xne n ASN 44 N 5.61 -4.78 -3.58 1.36 3.02 0.25 -2.54 115.26 114.59 1xne n ASN 44 Ca -0.06 0.17 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 1xne n ASN 44 Cb 0.49 -2.89 0.05 0.00 -0.61 0.00 0.00 39.78 36.82 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xne n ASP 45 N -0.41 -3.15 0.00 6.41 -0.08 -1.25 -4.80 116.55 113.27 1xne n ASP 45 Ca -0.07 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.39 1xne n ASP 45 Cb 0.38 -4.25 0.00 0.00 2.34 0.00 0.00 41.12 39.60 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1xne n LEU 46 N -4.04 -0.03 -4.46 -2.67 7.94 -1.10 -5.07 117.00 107.58 1xne n LEU 46 Ca -0.21 0.01 -0.42 0.00 -1.11 0.00 0.00 56.01 54.27 1xne n LEU 46 Cb 0.65 0.44 -0.10 0.00 0.53 0.00 0.00 43.42 44.93 1xne n LEU 46 CO 0.66 -0.49 -0.09 -0.63 -1.11 0.00 0.00 177.39 175.72 1xne s ILE 47 N -2.00 5.15 0.65 1.96 1.01 -1.05 -4.95 121.20 121.97 1xne s ILE 47 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 1xne s ILE 47 Cb 0.00 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1xne s ILE 47 CO 0.00 -0.26 1.05 -2.16 0.00 0.00 0.00 174.94 173.58 1xne s PRO 48 N 1.67 3.14 -0.09 2.79 0.04 -1.26 -0.24 135.00 141.04 1xne s PRO 48 Ca 0.05 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1xne s PRO 48 Cb -0.19 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1xne s PRO 48 CO 0.10 -0.94 0.39 0.00 0.04 0.00 0.00 177.00 176.58 1xne s ALA 49 N -2.80 -0.97 -0.08 8.56 0.00 0.36 -1.01 121.76 125.81 1xne s ALA 49 Ca 0.60 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1xne s ALA 49 Cb -0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1xne s ALA 49 CO 0.47 -0.23 -0.03 -2.00 0.00 0.00 0.00 175.76 173.97 1xne s GLU 50 N -0.52 2.91 -0.18 0.00 2.12 -0.72 0.19 118.70 122.50 1xne s GLU 50 Ca -0.06 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.51 1xne s GLU 50 Cb -0.04 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 1xne s GLU 50 CO 0.03 0.68 1.37 0.08 -0.54 0.00 0.00 175.26 176.88 1xne s VAL 51 N -0.83 4.07 -0.15 3.70 1.01 -0.94 0.10 120.40 127.38 1xne s VAL 51 Ca 0.13 1.28 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 1xne s VAL 51 Cb -0.11 -3.90 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 1xne s VAL 51 CO 0.02 -0.20 0.62 0.58 0.00 0.00 0.00 175.10 176.12 1xne h VAL 52 N 5.66 1.48 -1.16 2.92 2.07 -0.19 -3.17 116.25 123.86 1xne h VAL 52 Ca -0.29 -2.33 0.20 0.00 0.82 0.00 0.00 66.70 65.10 1xne h VAL 52 Cb 1.12 3.02 -0.28 0.00 -1.52 0.00 0.00 31.29 33.63 1xne h VAL 52 CO 0.98 0.55 0.85 -0.70 0.02 0.00 0.00 177.57 179.27 1xne s GLU 53 N -2.30 0.16 -0.05 1.57 2.56 -0.73 -4.78 118.70 115.13 1xne s GLU 53 Ca -0.21 0.08 0.05 0.00 0.00 0.00 0.00 54.97 54.89 1xne s GLU 53 Cb 0.00 0.08 -0.01 0.00 2.00 0.00 0.00 34.13 36.20 1xne s GLU 53 CO 0.68 -0.04 -0.20 0.54 -0.56 0.00 0.00 175.26 175.69 1xne s VAL 54 N -0.70 1.63 -0.02 3.70 0.11 -1.26 -0.81 120.40 123.05 1xne s VAL 54 Ca 0.07 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1xne s VAL 54 Cb -0.02 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1xne s VAL 54 CO -0.08 0.46 0.06 -0.54 -3.33 0.00 0.00 175.10 171.67 1xne s LYS 55 N -0.00 0.07 0.05 1.54 1.02 -1.05 -5.00 119.74 116.36 1xne s LYS 55 Ca -0.04 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.06 1xne s LYS 55 Cb -0.12 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1xne s LYS 55 CO 0.03 -0.01 0.01 0.21 -0.92 0.00 0.00 175.35 174.67 1xne s LYS 56 N 0.05 2.70 0.15 1.68 2.20 -1.26 -2.41 119.74 122.85 1xne s LYS 56 Ca -0.00 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1xne s LYS 56 Cb -0.01 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.68 1xne s LYS 56 CO 0.00 0.58 0.13 0.66 -0.36 0.00 0.00 175.35 176.36 1xne n TYR 57 N 0.91 -0.38 -4.23 4.03 4.01 -1.26 -5.02 117.16 115.23 1xne n TYR 57 Ca -0.12 -1.23 -0.34 0.00 -0.16 0.00 0.00 57.90 56.04 1xne n TYR 57 Cb 0.52 0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 39.55 1xne n TYR 57 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1xne s GLU 58 N -2.59 3.43 0.21 -0.72 -1.05 -1.26 -4.70 118.70 112.03 1xne s GLU 58 Ca 0.17 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1xne s GLU 58 Cb 0.01 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.81 1xne s GLU 58 CO 0.12 -0.01 0.00 2.41 0.95 0.00 0.00 175.26 178.74 1xne n THR 59 N 4.23 -3.66 0.03 1.83 -1.04 -1.26 -4.06 114.28 110.34 1xne n THR 59 Ca -0.18 1.48 0.20 0.00 -2.04 0.00 0.00 64.05 63.52 1xne n THR 59 Cb 0.52 -2.37 0.71 0.00 -1.82 0.00 0.00 70.33 67.37 1xne n THR 59 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1xne h PHE 60 N 1.69 0.00 -0.50 -1.42 0.04 -1.93 -1.01 116.94 113.82 1xne h PHE 60 Ca 0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1xne h PHE 60 Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 1xne h PHE 60 CO 0.00 0.00 0.03 -0.09 -0.60 0.00 0.00 178.31 177.65 1xne h ARG 61 N 0.00 0.15 -0.32 1.51 1.12 -1.98 0.76 114.38 115.61 1xne h ARG 61 Ca 0.24 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.14 1xne h ARG 61 Cb 1.01 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.89 1xne h ARG 61 CO -0.00 0.10 0.08 1.96 -3.11 0.00 0.00 179.97 179.00 1xne h GLN 62 N 0.15 0.20 -0.06 0.20 1.08 -1.32 0.89 115.11 116.25 1xne h GLN 62 Ca 0.25 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1xne h GLN 62 Cb 0.37 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1xne h GLN 62 CO -0.39 0.13 0.05 0.28 -0.95 0.00 0.00 178.83 177.96 1xne h VAL 63 N 0.21 0.88 0.00 -0.54 2.07 -1.24 0.61 116.25 118.24 1xne h VAL 63 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1xne h VAL 63 Cb 0.15 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1xne h VAL 63 CO -0.18 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.34 1xne h LEU 64 N 0.00 0.00 0.09 2.57 -0.00 0.14 0.31 115.31 118.43 1xne h LEU 64 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.61 1xne h LEU 64 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1xne h LEU 64 CO -0.00 0.00 -1.59 0.03 -0.00 0.00 0.00 178.44 176.88 1xne h ARG 65 N 0.00 0.19 0.18 1.13 3.08 0.16 -3.41 114.38 115.71 1xne h ARG 65 Ca 0.00 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1xne h ARG 65 Cb 0.72 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1xne h ARG 65 CO 0.00 1.16 -0.09 0.93 -1.07 0.00 0.00 179.97 180.90 1xne h GLU 66 N -0.33 -0.24 -6.71 0.04 3.07 -0.96 -3.45 114.58 106.00 1xne h GLU 66 Ca -0.36 0.02 -0.50 0.00 -0.50 0.00 0.00 59.36 58.02 1xne h GLU 66 Cb 1.75 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.69 1xne h GLU 66 CO 0.01 -0.10 0.17 -1.21 -1.40 0.00 0.00 179.01 176.48 1xne s GLU 67 N -2.45 4.26 1.02 2.33 8.01 0.10 -5.07 118.70 126.90 1xne s GLU 67 Ca -0.05 0.94 -0.16 0.00 0.01 0.00 0.00 54.97 55.71 1xne s GLU 67 Cb 0.00 -2.70 0.20 0.00 -4.31 0.00 0.00 34.13 27.32 1xne s GLU 67 CO 0.16 0.28 1.19 -1.25 0.01 0.00 0.00 175.26 175.65 1xne s PRO 68 N -2.32 0.26 -0.09 0.39 0.04 -1.26 -4.34 135.00 127.67 1xne s PRO 68 Ca 0.48 -0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.53 1xne s PRO 68 Cb -0.15 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1xne s PRO 68 CO 0.20 -2.73 -0.01 -0.89 0.04 0.00 0.00 177.00 173.61 1xne n ILE 69 N -4.07 0.61 0.17 0.56 5.41 -1.26 -3.95 119.36 116.83 1xne n ILE 69 Ca 0.11 -0.33 0.13 0.00 1.00 0.00 0.00 62.75 63.66 1xne n ILE 69 Cb 0.59 -0.81 0.67 0.00 -0.71 0.00 0.00 39.64 39.38 1xne n ILE 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1xne h ASP 70 N 0.00 0.00 0.00 4.38 3.32 -1.94 0.30 116.42 122.48 1xne h ASP 70 Ca -0.24 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1xne h ASP 70 Cb 1.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1xne h ASP 70 CO -0.00 0.00 -0.47 0.11 -1.72 0.00 0.00 179.24 177.15 1xne h LYS 71 N 0.00 0.00 -0.99 3.56 1.79 -1.81 -3.33 116.57 115.79 1xne h LYS 71 Ca 0.09 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.78 1xne h LYS 71 Cb 0.36 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.89 1xne h LYS 71 CO -0.00 0.77 0.58 0.82 -1.08 0.00 0.00 179.45 180.54 1xne h ILE 72 N -1.00 0.61 -3.09 1.86 2.04 -1.57 -3.34 117.51 113.01 1xne h ILE 72 Ca -0.12 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.35 1xne h ILE 72 Cb 0.93 -0.09 -0.27 0.00 -0.74 0.00 0.00 36.82 36.65 1xne h ILE 72 CO -0.07 0.12 -0.43 -0.36 0.00 0.00 0.00 178.15 177.40 1xne s PHE 73 N -5.83 -0.29 0.07 1.37 0.08 0.10 -4.88 117.98 108.61 1xne s PHE 73 Ca -0.11 0.71 0.17 0.00 0.12 0.00 0.00 56.93 57.82 1xne s PHE 73 Cb 0.26 0.09 0.43 0.00 -0.57 0.00 0.00 43.02 43.22 1xne s PHE 73 CO 0.80 -0.16 1.61 -1.00 -0.10 0.00 0.00 175.22 176.37 1xne h PRO 74 N 6.10 0.00 0.00 0.24 0.13 -1.80 -2.90 132.00 133.77 1xne h PRO 74 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1xne h PRO 74 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xne h PRO 74 CO 0.35 0.47 0.07 -0.44 -0.23 0.00 0.00 178.00 178.22 1xne h ASP 75 N 0.00 0.00 -6.30 1.44 5.19 -1.91 -3.46 116.42 111.39 1xne h ASP 75 Ca -0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.01 1xne h ASP 75 Cb 1.11 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.66 1xne h ASP 75 CO 0.06 0.00 -0.83 0.29 -3.12 0.00 0.00 179.24 175.64 1xne n LYS 76 N -2.61 -1.20 -1.18 3.56 5.02 -1.09 -4.96 118.16 115.69 1xne n LYS 76 Ca -0.02 0.66 -0.24 0.00 -2.02 0.00 0.00 58.31 56.69 1xne n LYS 76 Cb 0.12 -3.74 0.18 0.00 -0.02 0.00 0.00 35.03 31.57 1xne n LYS 76 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xne n PRO 77 N -3.49 -1.86 -3.79 1.97 -0.04 -1.26 -5.03 135.00 121.50 1xne n PRO 77 Ca -0.14 -1.52 -0.28 0.00 -0.04 0.00 0.00 63.50 61.52 1xne n PRO 77 Cb 0.60 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 1xne n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1xne s SER 78 N -4.39 6.38 0.32 3.54 0.01 -1.26 -4.86 113.70 113.45 1xne s SER 78 Ca 0.58 0.35 0.09 0.00 1.31 0.00 0.00 55.95 58.28 1xne s SER 78 Cb -0.04 -1.99 0.90 0.00 0.21 0.00 0.00 66.02 65.11 1xne s SER 78 CO 0.43 0.02 1.69 0.15 0.41 0.00 0.00 173.24 175.94 1xne h PHE 79 N 2.30 0.82 -0.02 2.43 3.04 -1.98 1.07 116.94 124.59 1xne h PHE 79 Ca -0.47 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.41 1xne h PHE 79 Cb 1.18 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.49 1xne h PHE 79 CO 0.56 -0.08 -0.39 1.49 -2.02 0.00 0.00 178.31 177.87 1xne h GLU 80 N 0.40 0.30 0.10 1.11 4.57 -1.98 -2.82 114.58 116.25 1xne h GLU 80 Ca 0.65 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1xne h GLU 80 Cb 1.34 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 1xne h GLU 80 CO -0.56 0.98 -0.17 -0.22 -1.18 0.00 0.00 179.01 177.85 1xne h LYS 81 N -0.27 -0.33 -1.00 1.92 3.64 -1.22 0.52 116.57 119.82 1xne h LYS 81 Ca -0.04 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1xne h LYS 81 Cb 1.10 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1xne h LYS 81 CO 0.08 -0.22 0.61 0.00 -2.27 0.00 0.00 179.45 177.65 1xne h ALA 82 N 0.49 1.70 -0.15 5.00 0.00 0.96 0.93 119.26 128.20 1xne h ALA 82 Ca 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1xne h ALA 82 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xne h ALA 82 CO -0.09 -0.08 -0.53 1.25 0.00 0.00 0.00 179.25 179.79 1xne h LEU 83 N 0.74 0.49 0.53 0.00 6.46 -0.95 -0.70 115.31 121.88 1xne h LEU 83 Ca 0.59 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1xne h LEU 83 Cb 0.94 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1xne h LEU 83 CO -0.39 0.93 -0.25 0.50 -0.62 0.00 0.00 178.44 178.61 1xne h LYS 84 N 0.35 -0.68 -0.45 1.25 3.64 0.53 -0.20 116.57 121.00 1xne h LYS 84 Ca 0.01 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1xne h LYS 84 Cb 1.05 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1xne h LYS 84 CO 0.09 -0.40 0.32 0.07 -2.27 0.00 0.00 179.45 177.26 1xne h ARG 85 N -1.10 0.07 0.09 1.90 0.11 0.51 0.51 114.38 116.47 1xne h ARG 85 Ca -0.07 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 1xne h ARG 85 Cb 0.60 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1xne h ARG 85 CO 0.12 0.05 -0.04 0.74 0.10 0.00 0.00 179.97 180.94 1xne h PHE 86 N 0.08 -0.11 0.44 4.08 0.04 -0.99 -2.27 116.94 118.21 1xne h PHE 86 Ca 0.21 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1xne h PHE 86 Cb 0.75 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1xne h PHE 86 CO -0.00 0.33 -0.21 1.25 -0.60 0.00 0.00 178.31 179.08 1xne h HIS 87 N -0.60 -0.55 -0.89 -0.55 2.76 -0.14 -3.13 115.15 112.04 1xne h HIS 87 Ca -0.01 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.31 1xne h HIS 87 Cb 0.49 0.18 -0.16 0.00 1.55 0.00 0.00 27.41 29.48 1xne h HIS 87 CO 0.08 -0.23 -0.30 -0.97 -1.30 0.00 0.00 177.93 175.21 1xne h ASN 88 N -0.91 -1.09 -0.96 3.26 -0.73 -0.12 0.19 115.58 115.22 1xne h ASN 88 Ca -0.06 0.28 0.12 0.00 1.87 0.00 0.00 56.30 58.51 1xne h ASN 88 Cb 0.57 0.63 -0.14 0.00 0.27 0.00 0.00 38.32 39.66 1xne h ASN 88 CO 0.10 -0.30 -0.46 0.80 -0.37 0.00 0.00 177.43 177.20 1xne n MET 89 N -5.52 -0.31 -3.88 6.67 1.56 -0.85 -3.25 117.12 111.53 1xne n MET 89 Ca 0.11 1.46 -0.33 0.00 -0.27 0.00 0.00 57.70 58.67 1xne n MET 89 Cb 0.42 -2.16 -0.13 0.00 2.15 0.00 0.00 33.22 33.51 1xne n MET 89 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1xne s TYR 90 N -5.71 3.43 -0.05 1.12 2.02 0.67 -4.96 117.35 113.86 1xne s TYR 90 Ca -0.12 -2.91 -0.08 0.00 -0.37 0.00 0.00 57.07 53.59 1xne s TYR 90 Cb 0.15 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.66 1xne s TYR 90 CO 0.64 -0.85 0.37 -1.00 -1.57 0.00 0.00 175.55 173.15 1xne h PRO 91 N 7.10 -0.28 -2.61 -1.71 0.13 -1.52 -3.45 132.00 129.66 1xne h PRO 91 Ca -0.06 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1xne h PRO 91 Cb 0.96 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1xne h PRO 91 CO 0.66 -0.19 -0.66 1.63 -0.23 0.00 0.00 178.00 179.22 1xne n LYS 92 N -4.56 -3.09 0.04 0.86 4.01 -1.26 -4.75 118.16 109.41 1xne n LYS 92 Ca -0.04 2.34 -0.04 0.00 -0.51 0.00 0.00 58.31 60.06 1xne n LYS 92 Cb 0.12 -2.74 -0.02 0.00 -0.51 0.00 0.00 35.03 31.87 1xne n LYS 92 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1xne h TRP 93 N 0.75 -0.31 -0.69 2.13 -0.00 -2.06 -3.44 115.95 112.33 1xne h TRP 93 Ca 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.03 1xne h TRP 93 Cb 0.27 0.13 -0.20 0.00 -0.00 0.00 0.00 29.16 29.35 1xne h TRP 93 CO 0.02 -0.13 -0.16 -1.59 -0.00 0.00 0.00 178.44 176.57 1xne s LYS 94 N -3.59 0.39 -0.30 0.49 -2.85 -1.26 -5.14 119.74 107.48 1xne s LYS 94 Ca -0.04 0.53 -0.13 0.00 -1.00 0.00 0.00 55.97 55.33 1xne s LYS 94 Cb 0.01 0.27 0.17 0.00 -2.06 0.00 0.00 37.83 36.22 1xne s LYS 94 CO 0.13 -0.59 0.95 -2.00 0.10 0.00 0.00 175.35 173.93 1xne s GLU 95 N 2.89 0.31 -0.26 1.78 2.56 -1.26 -5.14 118.70 119.58 1xne s GLU 95 Ca 0.14 0.69 -0.05 0.00 0.00 0.00 0.00 54.97 55.76 1xne s GLU 95 Cb -0.09 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.45 1xne s GLU 95 CO -0.21 -0.18 0.01 -0.47 -0.56 0.00 0.00 175.26 173.85 1xne s TYR 96 N 2.63 3.06 0.32 5.30 5.04 -1.26 -5.04 117.35 127.40 1xne s TYR 96 Ca 0.00 -1.06 0.05 0.00 -2.44 0.00 0.00 57.07 53.62 1xne s TYR 96 Cb -0.08 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 1xne s TYR 96 CO -0.16 -0.59 0.30 1.03 -1.34 0.00 0.00 175.55 174.79 1xne s ARG 97 N 1.46 1.72 1.13 4.97 3.00 -1.26 -5.15 118.95 124.81 1xne s ARG 97 Ca 0.03 -1.93 -0.19 0.00 0.00 0.00 0.00 55.73 53.65 1xne s ARG 97 Cb -0.16 0.34 0.11 0.00 0.00 0.00 0.00 34.95 35.24 1xne s ARG 97 CO -0.01 -0.64 0.00 2.48 0.00 0.00 0.00 175.30 177.13 1xne n TYR 98 N -0.57 -1.41 0.00 -0.53 0.18 -1.26 -4.89 117.16 108.68 1xne n TYR 98 Ca 0.06 0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1xne n TYR 98 Cb 0.63 -1.56 0.00 0.00 -0.38 0.00 0.00 39.34 38.03 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xne n GLY 99 N 2.03 -0.11 3.71 -7.48 0.00 -1.26 -4.86 105.19 97.23 1xne n GLY 99 Ca 0.00 0.05 -0.63 0.00 0.00 0.00 0.00 46.02 45.44 1xne n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xne n VAL 100 N -2.08 0.14 -3.59 1.61 3.14 -1.26 -2.15 118.33 114.14 1xne n VAL 100 Ca 0.00 -0.03 -0.16 0.00 -2.96 0.00 0.00 64.34 61.19 1xne n VAL 100 Cb 0.00 -0.85 -0.07 0.00 -1.06 0.00 0.00 33.84 31.86 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1xne s LEU 101 N 3.42 -0.52 -0.26 6.55 1.98 -1.24 -4.10 118.68 124.51 1xne s LEU 101 Ca 1.03 0.97 -0.01 0.00 -2.89 0.00 0.00 54.13 53.23 1xne s LEU 101 Cb -1.30 2.35 0.08 0.00 0.66 0.00 0.00 46.19 47.98 1xne s LEU 101 CO 0.74 -0.42 0.04 0.00 -1.89 0.00 0.00 176.35 174.81 1xne s ALA 102 N -0.48 1.57 -0.31 5.97 0.00 -1.01 -3.86 121.76 123.63 1xne s ALA 102 Ca -0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1xne s ALA 102 Cb -0.03 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1xne s ALA 102 CO 0.05 -1.40 0.20 0.42 0.00 0.00 0.00 175.76 175.03 1xne s ILE 103 N 1.59 5.06 -0.38 0.00 1.01 -0.36 -2.54 121.20 125.58 1xne s ILE 103 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1xne s ILE 103 Cb -0.18 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1xne s ILE 103 CO -0.14 0.08 0.29 -0.54 0.00 0.00 0.00 174.94 174.64 1xne s LYS 104 N 1.70 3.24 0.11 2.79 1.02 0.01 0.46 119.74 129.07 1xne s LYS 104 Ca 0.06 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.32 1xne s LYS 104 Cb -0.17 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 1xne s LYS 104 CO 0.09 -0.62 -0.18 -0.59 -0.92 0.00 0.00 175.35 173.13 1xne s PHE 105 N 1.77 1.63 -0.31 3.18 -0.12 -0.93 0.58 117.98 123.78 1xne s PHE 105 Ca 0.07 -0.45 0.03 0.00 -0.05 0.00 0.00 56.93 56.53 1xne s PHE 105 Cb -0.18 -0.88 0.08 0.00 -0.63 0.00 0.00 43.02 41.41 1xne s PHE 105 CO 0.11 0.19 -0.01 0.50 -0.05 0.00 0.00 175.22 175.95 1xne s ARG 106 N -2.09 1.79 0.14 1.99 3.52 0.11 -4.74 118.95 119.68 1xne s ARG 106 Ca 0.06 -1.67 -0.35 0.00 -0.13 0.00 0.00 55.73 53.65 1xne s ARG 106 Cb -0.09 -3.09 -0.15 0.00 -1.56 0.00 0.00 34.95 30.07 1xne s ARG 106 CO 0.04 -0.79 1.49 1.55 -0.81 0.00 0.00 175.30 176.78 1xne n VAL 107 N 4.33 0.02 -3.67 7.11 3.14 -1.26 -1.76 118.33 126.23 1xne n VAL 107 Ca -0.03 -0.01 -0.37 0.00 -2.96 0.00 0.00 64.34 60.97 1xne n VAL 107 Cb 0.42 -1.28 -0.06 0.00 -1.06 0.00 0.00 33.84 31.86 1xne n VAL 107 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xne s LEU 108 N 0.75 4.44 0.00 6.55 1.43 -0.18 -4.68 118.68 126.98 1xne s LEU 108 Ca 0.80 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1xne s LEU 108 Cb -0.77 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1xne s LEU 108 CO 0.41 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.96 1xne n GLY 109 N 1.85 1.78 3.22 -3.19 0.00 -1.26 -4.38 105.19 103.20 1xne n GLY 109 Ca -0.16 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1xne n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xne n ARG 110 N 0.00 -2.16 -1.05 1.61 1.85 -1.26 -4.84 116.66 110.80 1xne n ARG 110 Ca 0.00 -0.62 -0.37 0.00 -1.00 0.00 0.00 57.85 55.86 1xne n ARG 110 Cb 0.00 -1.69 0.04 0.00 -1.05 0.00 0.00 32.46 29.76 1xne n ARG 110 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1xne n ASP 111 N -2.18 -5.31 -1.37 2.89 2.03 -1.26 -4.60 116.55 106.75 1xne n ASP 111 Ca 0.03 0.30 0.16 0.00 0.52 0.00 0.00 54.79 55.80 1xne n ASP 111 Cb 0.55 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 1xne n ASP 111 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1xne n LYS 112 N 2.08 -3.01 0.00 -0.67 3.00 -1.26 -5.04 118.16 113.26 1xne n LYS 112 Ca 0.01 2.44 0.00 0.00 -0.00 0.00 0.00 58.31 60.75 1xne n LYS 112 Cb 0.54 -3.59 0.00 0.00 0.00 0.00 0.00 35.03 31.98 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49