#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 3.48 -0.06 2.12 3.01 -1.26 -4.84 119.74 122.18 1xne s LYS 2 Ca 0.00 -0.27 0.06 0.00 -1.01 0.00 0.00 55.97 54.75 1xne s LYS 2 Cb 0.00 -2.62 -0.01 0.00 -1.01 0.00 0.00 37.83 34.19 1xne s LYS 2 CO 0.00 0.08 -0.25 0.08 0.51 0.00 0.00 175.35 175.78 1xne s VAL 3 N -2.39 2.04 -0.25 3.17 1.01 -1.25 0.16 120.40 122.90 1xne s VAL 3 Ca 0.41 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1xne s VAL 3 Cb -0.10 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1xne s VAL 3 CO 0.37 0.57 -0.07 -0.31 0.00 0.00 0.00 175.10 175.66 1xne s TYR 4 N -0.11 2.77 -0.72 5.22 1.51 0.90 -4.97 117.35 121.96 1xne s TYR 4 Ca -0.05 -2.01 -0.25 0.00 -1.01 0.00 0.00 57.07 53.75 1xne s TYR 4 Cb -0.14 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1xne s TYR 4 CO 0.04 -0.82 1.15 1.03 -1.11 0.00 0.00 175.55 175.84 1xne s ARG 5 N 1.27 3.17 -0.29 -0.62 0.52 -1.26 0.13 118.95 121.88 1xne s ARG 5 Ca -0.07 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 1xne s ARG 5 Cb -0.19 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 30.99 1xne s ARG 5 CO -0.06 -2.01 0.21 -0.51 0.02 0.00 0.00 175.30 172.95 1xne s LEU 6 N 4.98 4.10 -0.26 2.53 1.43 0.42 -4.92 118.68 126.96 1xne s LEU 6 Ca 0.30 -0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1xne s LEU 6 Cb -0.11 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1xne s LEU 6 CO 0.12 -0.09 0.93 -0.31 0.23 0.00 0.00 176.35 177.24 1xne s TYR 7 N 1.77 3.28 0.35 0.29 1.51 -1.26 0.10 117.35 123.39 1xne s TYR 7 Ca 0.07 1.21 0.08 0.00 -1.01 0.00 0.00 57.07 57.42 1xne s TYR 7 Cb -0.16 -3.26 -0.07 0.00 -0.11 0.00 0.00 41.96 38.36 1xne s TYR 7 CO 0.11 -0.52 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.47 1xne s LEU 8 N 3.12 2.69 0.49 -1.29 1.02 -1.26 -4.84 118.68 118.61 1xne s LEU 8 Ca 0.39 -1.25 -0.12 0.00 0.02 0.00 0.00 54.13 53.17 1xne s LEU 8 Cb -0.14 -0.87 -0.06 0.00 0.02 0.00 0.00 46.19 45.14 1xne s LEU 8 CO 0.09 -0.32 0.90 -0.54 0.02 0.00 0.00 176.35 176.50 1xne s LYS 9 N -3.68 3.78 0.53 1.70 1.02 -1.26 -4.72 119.74 117.12 1xne s LYS 9 Ca 0.33 0.66 0.22 0.00 0.02 0.00 0.00 55.97 57.20 1xne s LYS 9 Cb 0.05 -2.24 1.45 0.00 -0.52 0.00 0.00 37.83 36.57 1xne s LYS 9 CO 0.16 -0.24 2.15 0.22 -0.92 0.00 0.00 175.35 176.72 1xne h ASP 10 N 0.71 0.00 0.05 2.83 1.82 -2.00 1.45 116.42 121.27 1xne h ASP 10 Ca -0.46 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1xne h ASP 10 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1xne h ASP 10 CO 0.62 0.05 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.95 1xne h GLU 11 N 0.00 -0.06 0.07 0.28 4.39 -1.99 -1.35 114.58 115.91 1xne h GLU 11 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1xne h GLU 11 Cb 0.11 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1xne h GLU 11 CO 0.01 0.32 -0.79 1.88 -1.16 0.00 0.00 179.01 179.27 1xne h TYR 12 N -0.46 0.66 -0.64 4.33 0.05 -1.79 -3.27 116.97 115.86 1xne h TYR 12 Ca -0.01 -0.41 0.10 0.00 0.05 0.00 0.00 58.73 58.47 1xne h TYR 12 Cb 0.42 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.02 1xne h TYR 12 CO 0.06 1.26 0.23 1.25 -1.05 0.00 0.00 178.16 179.91 1xne h LEU 13 N -0.12 0.22 -0.69 3.88 5.85 0.19 -0.11 115.31 124.51 1xne h LEU 13 Ca -0.12 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1xne h LEU 13 Cb 1.54 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.54 1xne h LEU 13 CO 0.15 0.12 0.20 -0.33 -0.34 0.00 0.00 178.44 178.24 1xne h GLU 14 N 0.40 0.31 -0.64 1.25 5.08 -1.31 0.36 114.58 120.03 1xne h GLU 14 Ca 0.33 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1xne h GLU 14 Cb 0.43 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1xne h GLU 14 CO -0.33 0.20 0.42 0.52 -1.00 0.00 0.00 179.01 178.82 1xne h MET 15 N 0.32 0.68 -0.07 2.33 2.86 -1.07 -0.48 114.93 119.50 1xne h MET 15 Ca 0.38 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.89 1xne h MET 15 Cb 0.60 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xne h MET 15 CO -0.44 0.45 -0.31 0.28 1.06 0.00 0.00 176.91 177.95 1xne h VAL 16 N 0.70 1.43 -0.73 -2.22 2.07 -0.04 0.13 116.25 117.59 1xne h VAL 16 Ca 0.27 -1.72 0.14 0.00 0.82 0.00 0.00 66.70 66.21 1xne h VAL 16 Cb 0.17 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1xne h VAL 16 CO -0.08 0.49 0.49 0.11 0.02 0.00 0.00 177.57 178.60 1xne h LYS 17 N -0.17 0.38 -0.01 1.57 1.79 0.25 0.32 116.57 120.69 1xne h LYS 17 Ca -0.02 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.24 1xne h LYS 17 Cb 0.96 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1xne h LYS 17 CO 0.06 0.25 -0.82 0.66 -1.08 0.00 0.00 179.45 178.52 1xne h SER 18 N 0.39 0.26 0.00 0.86 4.64 -1.01 -3.48 113.55 115.22 1xne h SER 18 Ca 0.36 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xne h SER 18 Cb 0.83 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1xne h SER 18 CO -0.11 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1xne n GLY 19 N 0.76 1.14 0.14 -0.77 0.00 0.11 -4.99 105.19 101.58 1xne n GLY 19 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.09 0.32 -7.02 1.61 1.79 -0.95 -3.45 116.57 108.96 1xne h LYS 20 Ca 0.00 -0.36 -0.46 0.00 -2.18 0.00 0.00 60.65 57.65 1xne h LYS 20 Cb 0.00 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1xne h LYS 20 CO 0.00 1.06 0.36 0.21 -1.08 0.00 0.00 179.45 180.00 1xne s LYS 21 N -3.19 4.18 0.00 3.15 2.20 -1.22 -4.79 119.74 120.08 1xne s LYS 21 Ca -0.04 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1xne s LYS 21 Cb 0.09 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1xne s LYS 21 CO 0.85 -0.09 0.00 0.54 -0.36 0.00 0.00 175.35 176.29 1xne n ARG 22 N -0.42 0.00 -4.11 4.03 5.12 -1.24 -4.95 116.66 115.09 1xne n ARG 22 Ca 0.06 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.64 1xne n ARG 22 Cb 0.52 -0.12 -0.14 0.00 -1.16 0.00 0.00 32.46 31.56 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xne s ILE 23 N -1.42 3.44 -0.21 0.55 1.01 -1.26 -2.83 121.20 120.48 1xne s ILE 23 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1xne s ILE 23 Cb 0.00 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1xne s ILE 23 CO 0.00 0.45 0.06 -0.70 0.00 0.00 0.00 174.94 174.74 1xne s GLU 24 N 1.14 3.78 -0.10 2.79 2.12 0.14 -4.45 118.70 124.12 1xne s GLU 24 Ca 0.02 -0.43 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1xne s GLU 24 Cb -0.15 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1xne s GLU 24 CO -0.01 0.03 -0.03 0.54 -0.54 0.00 0.00 175.26 175.26 1xne s VAL 25 N 1.01 0.71 -0.44 3.70 0.11 -1.26 -0.05 120.40 124.19 1xne s VAL 25 Ca 0.04 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 59.01 1xne s VAL 25 Cb -0.14 -0.84 0.34 0.00 -1.53 0.00 0.00 36.38 34.21 1xne s VAL 25 CO 0.03 0.26 1.12 -1.14 -3.33 0.00 0.00 175.10 172.04 1xne n ARG 26 N 5.04 1.05 -0.96 1.54 3.00 -1.26 -5.02 116.66 120.05 1xne n ARG 26 Ca -0.10 -2.09 0.12 0.00 -0.00 0.00 0.00 57.85 55.78 1xne n ARG 26 Cb 0.50 -0.91 -0.06 0.00 0.00 0.00 0.00 32.46 31.98 1xne n ARG 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xne n VAL 27 N 0.16 -0.63 -1.36 5.15 0.31 -1.26 -4.57 118.33 116.12 1xne n VAL 27 Ca 0.06 0.64 -0.22 0.00 -0.01 0.00 0.00 64.34 64.81 1xne n VAL 27 Cb 0.73 -0.96 0.15 0.00 -0.91 0.00 0.00 33.84 32.85 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xne n ALA 28 N -3.56 5.45 -1.18 3.52 0.00 -1.26 -4.72 120.51 118.77 1xne n ALA 28 Ca -0.06 -3.15 -0.36 0.00 0.00 0.00 0.00 53.44 49.86 1xne n ALA 28 Cb 0.46 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.68 1xne n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xne n TYR 29 N -1.06 -1.73 -2.33 0.00 4.01 -1.26 -4.53 117.16 110.26 1xne n TYR 29 Ca 0.54 0.31 -0.36 0.00 -0.16 0.00 0.00 57.90 58.22 1xne n TYR 29 Cb 1.25 -1.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.44 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1xne s PRO 30 N -2.49 3.24 0.00 -0.72 0.04 -1.26 -2.77 135.00 131.04 1xne s PRO 30 Ca 0.60 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1xne s PRO 30 Cb -0.34 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 28.82 1xne s PRO 30 CO 0.63 -3.08 0.00 0.94 0.04 0.00 0.00 177.00 175.53 1xne n GLN 31 N 8.39 0.00 -0.04 4.56 -0.06 -1.26 -4.95 117.38 124.01 1xne n GLN 31 Ca 0.46 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.42 1xne n GLN 31 Cb 0.47 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.57 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xne n LEU 32 N -1.88 0.00 -0.33 1.69 4.77 -1.22 -4.51 117.00 115.53 1xne n LEU 32 Ca 0.00 0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.23 1xne n LEU 32 Cb 0.00 0.21 0.54 0.00 -2.33 0.00 0.00 43.42 41.83 1xne n LEU 32 CO 0.00 0.21 1.23 0.07 -1.33 0.00 0.00 177.39 177.56 1xne h LYS 33 N 0.00 0.33 -0.69 3.23 5.09 -1.75 1.31 116.57 124.09 1xne h LYS 33 Ca -0.23 -0.02 0.07 0.00 0.09 0.00 0.00 60.65 60.57 1xne h LYS 33 Cb 1.46 -0.07 -0.04 0.00 0.10 0.00 0.00 32.23 33.67 1xne h LYS 33 CO 0.01 0.22 0.45 0.22 -2.09 0.00 0.00 179.45 178.26 1xne h ASP 34 N 0.34 0.58 -2.09 7.07 1.82 -1.83 -3.43 116.42 118.88 1xne h ASP 34 Ca 0.60 0.01 -0.57 0.00 -0.39 0.00 0.00 57.03 56.67 1xne h ASP 34 Cb 1.62 -0.12 0.21 0.00 0.68 0.00 0.00 39.33 41.72 1xne h ASP 34 CO -0.27 0.37 -1.45 0.00 -1.61 0.00 0.00 179.24 176.27 1xne n ILE 35 N -4.48 0.09 -3.79 2.25 0.13 0.45 -4.99 119.36 109.02 1xne n ILE 35 Ca 0.10 -0.49 -0.06 0.00 -1.10 0.00 0.00 62.75 61.21 1xne n ILE 35 Cb 0.27 -0.05 -0.02 0.00 -0.84 0.00 0.00 39.64 39.00 1xne n ILE 35 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 1xne s LYS 36 N -1.63 1.50 0.29 9.51 -2.85 -1.26 -4.98 119.74 120.32 1xne s LYS 36 Ca 0.49 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 1xne s LYS 36 Cb -0.33 0.52 -0.12 0.00 -2.06 0.00 0.00 37.83 35.85 1xne s LYS 36 CO 0.74 -0.69 1.58 -2.13 0.10 0.00 0.00 175.35 174.96 1xne n ARG 37 N -0.46 2.66 0.00 1.78 0.00 -1.26 -2.17 116.66 117.22 1xne n ARG 37 Ca -0.06 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.74 1xne n ARG 37 Cb 0.60 -2.72 0.00 0.00 0.00 0.00 0.00 32.46 30.34 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xne n GLY 38 N 2.15 2.63 2.40 5.14 0.00 -1.18 -5.03 105.19 111.31 1xne n GLY 38 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.09 -3.95 1.61 9.92 -0.92 -4.43 116.55 118.87 1xne n ASP 39 Ca 0.00 -1.31 -0.14 0.00 -0.53 0.00 0.00 54.79 52.81 1xne n ASP 39 Cb 0.00 -0.63 -0.14 0.00 -0.64 0.00 0.00 41.12 39.72 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 -4.78 0.33 -0.06 -1.24 2.20 0.43 -2.01 119.74 114.60 1xne s LYS 40 Ca 0.47 -0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 1xne s LYS 40 Cb -0.01 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.05 1xne s LYS 40 CO 0.33 0.07 -0.15 0.42 -0.36 0.00 0.00 175.35 175.66 1xne s ILE 41 N -0.32 1.32 -0.20 5.43 1.01 0.47 -0.07 121.20 128.85 1xne s ILE 41 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1xne s ILE 41 Cb -0.03 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1xne s ILE 41 CO -0.00 0.39 -0.07 -0.63 0.00 0.00 0.00 174.94 174.64 1xne s ILE 42 N 0.44 3.30 -0.15 2.92 -1.09 0.35 0.15 121.20 127.13 1xne s ILE 42 Ca -0.12 -0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 57.61 1xne s ILE 42 Cb -0.15 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1xne s ILE 42 CO 0.04 0.45 0.40 -0.36 -1.23 0.00 0.00 174.94 174.24 1xne s PHE 43 N 1.16 3.47 -1.62 3.97 0.08 0.15 0.16 117.98 125.35 1xne s PHE 43 Ca 0.02 0.74 0.00 0.00 0.12 0.00 0.00 56.93 57.81 1xne s PHE 43 Cb -0.14 -2.48 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1xne s PHE 43 CO -0.01 0.15 0.00 0.09 -0.10 0.00 0.00 175.22 175.35 1xne n ASN 44 N 3.80 -4.89 -3.64 1.36 4.13 0.29 -2.36 115.26 113.95 1xne n ASN 44 Ca -0.09 0.38 -0.26 0.00 1.68 0.00 0.00 54.58 56.29 1xne n ASN 44 Cb 0.52 -4.12 0.02 0.00 -1.54 0.00 0.00 39.78 34.66 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xne n ASP 45 N -0.99 -5.53 0.00 6.41 2.03 -1.25 -4.76 116.55 112.46 1xne n ASP 45 Ca -0.15 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1xne n ASP 45 Cb 0.57 -3.10 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xne n LEU 46 N -3.45 0.00 -4.37 -2.67 7.94 -1.00 -5.09 117.00 108.37 1xne n LEU 46 Ca -0.14 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.36 1xne n LEU 46 Cb 0.60 0.11 -0.11 0.00 0.53 0.00 0.00 43.42 44.54 1xne n LEU 46 CO 0.65 -0.11 -0.17 -0.63 -1.11 0.00 0.00 177.39 176.02 1xne s ILE 47 N -1.34 4.50 0.57 1.96 1.09 -1.02 -4.97 121.20 121.99 1xne s ILE 47 Ca 0.00 -0.84 -0.16 0.00 -1.10 0.00 0.00 60.65 58.55 1xne s ILE 47 Cb 0.00 -3.49 -0.05 0.00 -1.06 0.00 0.00 42.46 37.86 1xne s ILE 47 CO 0.00 -0.20 1.05 -2.16 -0.10 0.00 0.00 174.94 173.53 1xne s PRO 48 N 1.55 3.44 -0.06 2.79 0.04 -1.26 -0.67 135.00 140.82 1xne s PRO 48 Ca 0.02 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1xne s PRO 48 Cb -0.19 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1xne s PRO 48 CO 0.06 -0.71 0.38 0.00 0.04 0.00 0.00 177.00 176.77 1xne s ALA 49 N -2.44 -0.95 0.00 8.56 0.00 0.40 -1.72 121.76 125.62 1xne s ALA 49 Ca 0.63 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1xne s ALA 49 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1xne s ALA 49 CO 0.35 -0.25 -0.04 -2.00 0.00 0.00 0.00 175.76 173.82 1xne s GLU 50 N -0.78 2.64 -0.19 0.00 2.12 0.16 0.18 118.70 122.83 1xne s GLU 50 Ca -0.09 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.27 1xne s GLU 50 Cb -0.04 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.78 1xne s GLU 50 CO 0.04 0.61 1.15 0.08 -0.54 0.00 0.00 175.26 176.60 1xne s VAL 51 N -1.03 4.48 -0.19 3.70 1.01 -0.85 0.18 120.40 127.70 1xne s VAL 51 Ca 0.18 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.71 1xne s VAL 51 Cb -0.11 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 1xne s VAL 51 CO 0.09 -0.14 0.36 0.58 0.00 0.00 0.00 175.10 175.98 1xne h VAL 52 N 5.44 1.12 -1.38 2.92 2.07 0.17 -3.12 116.25 123.47 1xne h VAL 52 Ca -0.24 -2.17 0.12 0.00 0.82 0.00 0.00 66.70 65.23 1xne h VAL 52 Cb 1.09 2.45 -0.28 0.00 -1.52 0.00 0.00 31.29 33.04 1xne h VAL 52 CO 0.97 0.38 0.66 -0.70 0.02 0.00 0.00 177.57 178.89 1xne s GLU 53 N -2.31 0.35 -0.03 1.57 2.56 -0.29 -4.79 118.70 115.76 1xne s GLU 53 Ca -0.25 0.28 0.01 0.00 0.00 0.00 0.00 54.97 55.01 1xne s GLU 53 Cb 0.03 0.17 -0.03 0.00 2.00 0.00 0.00 34.13 36.29 1xne s GLU 53 CO 0.60 -0.07 -0.02 0.08 -0.56 0.00 0.00 175.26 175.29 1xne s VAL 54 N -0.29 4.01 -0.02 3.70 1.01 -1.26 0.99 120.40 128.54 1xne s VAL 54 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1xne s VAL 54 Cb -0.03 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1xne s VAL 54 CO -0.07 0.46 -0.02 -0.75 0.00 0.00 0.00 175.10 174.72 1xne s LYS 55 N -1.28 0.38 0.01 2.72 2.47 0.40 -4.97 119.74 119.48 1xne s LYS 55 Ca 0.17 -0.04 0.05 0.00 -1.56 0.00 0.00 55.97 54.58 1xne s LYS 55 Cb -0.11 -0.46 -0.01 0.00 -1.46 0.00 0.00 37.83 35.79 1xne s LYS 55 CO 0.07 -0.03 -0.15 0.21 0.16 0.00 0.00 175.35 175.61 1xne s LYS 56 N 0.52 1.11 0.34 4.03 2.20 -1.26 0.50 119.74 127.19 1xne s LYS 56 Ca -0.05 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1xne s LYS 56 Cb -0.09 -1.10 -0.03 0.00 -1.51 0.00 0.00 37.83 35.10 1xne s LYS 56 CO -0.01 0.29 0.15 0.71 -0.36 0.00 0.00 175.35 176.13 1xne s TYR 57 N -0.51 1.71 -0.12 4.03 2.02 -1.26 -5.01 117.35 118.21 1xne s TYR 57 Ca 0.05 -1.32 -0.20 0.00 -0.37 0.00 0.00 57.07 55.22 1xne s TYR 57 Cb -0.06 -0.99 -0.26 0.00 -0.40 0.00 0.00 41.96 40.24 1xne s TYR 57 CO 0.00 -0.42 0.60 1.05 -1.57 0.00 0.00 175.55 175.21 1xne h GLU 58 N 2.05 0.17 -6.42 -0.62 4.11 -2.01 -3.44 114.58 108.41 1xne h GLU 58 Ca -0.34 -0.28 -0.62 0.00 0.07 0.00 0.00 59.36 58.19 1xne h GLU 58 Cb 1.26 0.11 -0.24 0.00 0.50 0.00 0.00 28.75 30.38 1xne h GLU 58 CO 0.54 1.14 -0.85 -0.08 0.07 0.00 0.00 179.01 179.83 1xne s THR 59 N -2.40 1.91 0.35 -1.06 -1.32 -1.26 -4.81 115.64 107.05 1xne s THR 59 Ca -0.20 -1.48 0.07 0.00 -1.21 0.00 0.00 61.69 58.87 1xne s THR 59 Cb 0.03 -1.68 0.14 0.00 -1.51 0.00 0.00 72.50 69.47 1xne s THR 59 CO 0.73 0.11 1.86 2.19 -2.21 0.00 0.00 174.62 177.31 1xne h PHE 60 N 4.35 0.35 -0.98 9.09 -5.15 -1.91 -2.48 116.94 120.21 1xne h PHE 60 Ca -0.46 -0.05 0.22 0.00 -0.20 0.00 0.00 57.97 57.48 1xne h PHE 60 Cb 1.17 -0.10 -0.09 0.00 0.22 0.00 0.00 35.95 37.15 1xne h PHE 60 CO 0.56 0.46 0.62 0.07 -2.00 0.00 0.00 178.31 178.03 1xne h ARG 61 N 0.31 0.50 -0.05 6.09 -0.00 -1.99 0.19 114.38 119.42 1xne h ARG 61 Ca 0.06 -0.03 -0.25 0.00 -0.00 0.00 0.00 59.98 59.76 1xne h ARG 61 Cb 0.44 -0.11 0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1xne h ARG 61 CO 0.03 0.33 -0.96 0.37 -0.00 0.00 0.00 179.97 179.74 1xne h GLN 62 N 0.51 0.73 -0.87 0.08 -0.00 -1.88 -2.84 115.11 110.85 1xne h GLN 62 Ca 0.54 -0.72 0.23 0.00 -0.00 0.00 0.00 58.65 58.70 1xne h GLN 62 Cb 1.19 0.19 -0.05 0.00 0.00 0.00 0.00 27.48 28.81 1xne h GLN 62 CO -0.27 1.30 0.60 0.28 0.00 0.00 0.00 178.83 180.74 1xne h VAL 63 N 0.44 0.62 0.00 2.39 2.07 -0.57 1.32 116.25 122.53 1xne h VAL 63 Ca -0.10 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1xne h VAL 63 Cb 1.60 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1xne h VAL 63 CO 0.19 0.03 -0.71 -0.07 0.02 0.00 0.00 177.57 177.03 1xne h LEU 64 N 0.18 0.00 -0.06 2.57 4.07 -1.28 0.11 115.31 120.89 1xne h LEU 64 Ca 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.35 1xne h LEU 64 Cb 1.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1xne h LEU 64 CO -0.08 0.55 -0.14 0.03 -1.08 0.00 0.00 178.44 177.71 1xne h ARG 65 N 0.00 0.20 0.00 1.13 2.47 0.18 -3.38 114.38 114.98 1xne h ARG 65 Ca -0.03 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 1xne h ARG 65 Cb 1.45 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 1xne h ARG 65 CO 0.07 0.74 -0.15 0.93 0.56 0.00 0.00 179.97 182.12 1xne h GLU 66 N -0.31 0.00 -6.73 0.04 4.39 -0.67 -3.46 114.58 107.83 1xne h GLU 66 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1xne h GLU 66 Cb 0.74 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1xne h GLU 66 CO 0.03 0.24 0.17 -1.21 -1.16 0.00 0.00 179.01 177.08 1xne s GLU 67 N -1.83 4.22 0.99 2.33 0.41 0.38 -5.07 118.70 120.13 1xne s GLU 67 Ca -0.07 0.91 -0.15 0.00 -0.41 0.00 0.00 54.97 55.25 1xne s GLU 67 Cb 0.00 -2.63 0.19 0.00 -1.78 0.00 0.00 34.13 29.90 1xne s GLU 67 CO 0.19 0.24 1.17 -1.25 -0.49 0.00 0.00 175.26 175.13 1xne s PRO 68 N -2.46 0.49 -0.17 0.39 0.04 -1.26 -4.01 135.00 128.01 1xne s PRO 68 Ca 0.50 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.65 1xne s PRO 68 Cb -0.14 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.47 1xne s PRO 68 CO 0.19 -2.59 -0.08 -0.89 0.04 0.00 0.00 177.00 173.67 1xne n ILE 69 N -3.99 1.06 -0.26 0.56 5.41 -1.26 -3.99 119.36 116.89 1xne n ILE 69 Ca 0.10 -0.50 -0.00 0.00 1.00 0.00 0.00 62.75 63.35 1xne n ILE 69 Cb 0.59 -0.95 0.12 0.00 -0.71 0.00 0.00 39.64 38.70 1xne n ILE 69 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1xne h ASP 70 N 0.00 0.63 -0.01 4.38 2.03 -1.95 1.08 116.42 122.58 1xne h ASP 70 Ca -0.41 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1xne h ASP 70 Cb 1.76 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 40.16 1xne h ASP 70 CO -0.03 0.40 0.00 0.11 -1.03 0.00 0.00 179.24 178.69 1xne h LYS 71 N 0.76 0.02 0.09 4.15 1.57 -1.88 -3.14 116.57 118.15 1xne h LYS 71 Ca 0.34 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1xne h LYS 71 Cb 0.23 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1xne h LYS 71 CO -0.20 0.31 -0.14 0.82 -0.57 0.00 0.00 179.45 179.66 1xne h ILE 72 N -0.26 0.67 -3.51 1.86 2.04 -1.50 -3.29 117.51 113.51 1xne h ILE 72 Ca 0.00 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.37 1xne h ILE 72 Cb 0.29 0.67 -0.33 0.00 -0.74 0.00 0.00 36.82 36.71 1xne h ILE 72 CO 0.00 0.00 -0.81 -0.36 0.00 0.00 0.00 178.15 176.98 1xne s PHE 73 N -6.13 1.31 -0.02 1.37 0.08 0.37 -4.82 117.98 110.14 1xne s PHE 73 Ca -0.15 -0.45 0.21 0.00 0.12 0.00 0.00 56.93 56.67 1xne s PHE 73 Cb 0.07 -0.97 0.60 0.00 -0.57 0.00 0.00 43.02 42.16 1xne s PHE 73 CO 0.66 -0.23 1.69 -1.00 -0.10 0.00 0.00 175.22 176.23 1xne h PRO 74 N 6.87 0.00 0.00 0.24 0.13 -1.79 -2.92 132.00 134.53 1xne h PRO 74 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.48 0.28 0.10 -0.44 -0.23 0.00 0.00 178.00 178.19 1xne h ASP 75 N 0.00 0.00 -6.09 1.44 3.32 -1.92 -3.46 116.42 109.72 1xne h ASP 75 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1xne h ASP 75 Cb 0.97 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.57 1xne h ASP 75 CO 0.04 0.00 -0.75 0.29 -1.72 0.00 0.00 179.24 177.10 1xne n LYS 76 N -2.71 -1.36 -0.42 3.56 5.02 -1.10 -4.97 118.16 116.17 1xne n LYS 76 Ca -0.02 0.78 -0.08 0.00 -2.02 0.00 0.00 58.31 56.97 1xne n LYS 76 Cb 0.15 -4.23 0.06 0.00 -0.02 0.00 0.00 35.03 30.99 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 -3.25 -0.99 -4.08 1.97 -0.04 -1.26 -5.06 135.00 122.29 1xne n PRO 77 Ca -0.12 -0.54 -0.29 0.00 -0.04 0.00 0.00 63.50 62.52 1xne n PRO 77 Cb 0.59 -0.43 -0.06 0.00 -0.04 0.00 0.00 33.50 33.56 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 -2.37 5.42 0.33 3.54 0.01 -1.26 -4.88 113.70 114.49 1xne s SER 78 Ca 0.21 -0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.49 1xne s SER 78 Cb -0.01 -1.41 0.97 0.00 0.21 0.00 0.00 66.02 65.78 1xne s SER 78 CO 0.15 0.13 1.70 0.15 0.41 0.00 0.00 173.24 175.78 1xne h PHE 79 N 2.97 0.95 -0.06 2.43 3.57 -1.98 1.54 116.94 126.36 1xne h PHE 79 Ca -0.47 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 60.82 1xne h PHE 79 Cb 1.18 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1xne h PHE 79 CO 0.60 -0.05 -0.92 1.49 -2.23 0.00 0.00 178.31 177.19 1xne h GLU 80 N 0.45 0.67 0.15 1.11 4.57 -2.00 -2.83 114.58 116.71 1xne h GLU 80 Ca 0.68 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1xne h GLU 80 Cb 1.42 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1xne h GLU 80 CO -0.54 1.25 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.25 1xne h LYS 81 N 0.41 -0.20 -1.01 1.92 3.64 -0.56 -2.66 116.57 118.11 1xne h LYS 81 Ca -0.09 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.55 1xne h LYS 81 Cb 1.56 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.34 1xne h LYS 81 CO 0.18 0.13 0.65 0.00 -2.27 0.00 0.00 179.45 178.14 1xne h ALA 82 N 0.24 2.22 -0.42 5.00 0.00 0.18 1.09 119.26 127.58 1xne h ALA 82 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xne h ALA 82 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xne h ALA 82 CO 0.03 -0.59 0.24 1.25 0.00 0.00 0.00 179.25 180.18 1xne h LEU 83 N 0.41 0.51 -0.04 0.00 6.46 -1.22 0.12 115.31 121.55 1xne h LEU 83 Ca 0.56 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 58.22 1xne h LEU 83 Cb 1.41 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1xne h LEU 83 CO -0.26 0.43 -0.12 0.50 -0.62 0.00 0.00 178.44 178.37 1xne h LYS 84 N 0.55 0.14 -0.60 1.25 3.64 0.32 -3.24 116.57 118.63 1xne h LYS 84 Ca 0.15 -0.11 0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1xne h LYS 84 Cb 0.02 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.75 1xne h LYS 84 CO -0.03 0.73 -0.07 0.00 -2.27 0.00 0.00 179.45 177.81 1xne h ARG 85 N -0.41 0.05 -3.27 1.90 3.08 0.11 0.26 114.38 116.10 1xne h ARG 85 Ca -0.00 -0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.43 1xne h ARG 85 Cb 0.74 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.80 1xne h ARG 85 CO 0.02 0.04 3.46 1.19 -1.07 0.00 0.00 179.97 183.61 1xne n PHE 86 N -5.34 2.32 0.00 3.04 3.72 0.40 -3.29 117.46 118.31 1xne n PHE 86 Ca 0.08 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.67 1xne n PHE 86 Cb 0.33 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.57 1xne n PHE 86 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xne n HIS 87 N 4.16 0.00 -2.21 1.38 -0.00 -0.93 -4.87 115.22 112.76 1xne n HIS 87 Ca 0.67 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.54 1xne n HIS 87 Cb 0.24 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.06 1xne n HIS 87 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1xne s ASN 88 N 0.00 5.54 0.00 0.26 2.47 0.87 -4.79 114.94 119.30 1xne s ASN 88 Ca 0.00 -1.38 0.00 0.00 0.42 0.00 0.00 52.86 51.90 1xne s ASN 88 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 1xne s ASN 88 CO 0.00 -2.46 0.00 1.15 -3.72 0.00 0.00 177.10 172.07 1xne n MET 89 N 8.60 0.00 -2.84 0.43 0.00 -1.26 -4.84 117.12 117.22 1xne n MET 89 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 58.09 1xne n MET 89 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.67 1xne n MET 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1xne n TYR 90 N -0.01 -2.39 0.09 3.17 4.01 -1.26 -4.88 117.16 115.88 1xne n TYR 90 Ca 0.00 1.37 -0.07 0.00 -0.16 0.00 0.00 57.90 59.04 1xne n TYR 90 Cb 0.00 -2.57 0.03 0.00 -0.31 0.00 0.00 39.34 36.49 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xne h PRO 91 N 4.48 0.19 -4.26 -0.72 0.13 -1.99 -3.37 132.00 126.46 1xne h PRO 91 Ca -0.29 -0.19 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1xne h PRO 91 Cb 0.68 0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.88 1xne h PRO 91 CO 0.01 0.89 2.59 1.63 -0.23 0.00 0.00 178.00 182.89 1xne n LYS 92 N -3.71 1.97 0.00 0.86 4.76 -1.26 -3.25 118.16 117.53 1xne n LYS 92 Ca -0.03 -2.06 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1xne n LYS 92 Cb 0.75 -3.01 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1xne n TRP 93 N 6.85 -0.81 -2.42 2.13 7.02 -1.26 -5.12 117.44 123.83 1xne n TRP 93 Ca 0.51 0.02 -0.03 0.00 -1.02 0.00 0.00 57.50 56.98 1xne n TRP 93 Cb 0.39 0.20 -0.02 0.00 -2.42 0.00 0.00 31.31 29.46 1xne n TRP 93 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1xne n LYS 94 N -1.96 -4.80 -3.65 -0.99 4.81 -1.20 -5.08 118.16 105.30 1xne n LYS 94 Ca 0.00 3.55 -0.01 0.00 -0.87 0.00 0.00 58.31 60.98 1xne n LYS 94 Cb 0.00 -4.76 -0.04 0.00 0.02 0.00 0.00 35.03 30.25 1xne n LYS 94 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1xne s GLU 95 N -0.68 0.02 -0.90 1.64 2.12 -1.26 -5.06 118.70 114.58 1xne s GLU 95 Ca -0.13 0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.21 1xne s GLU 95 Cb 0.01 0.01 0.33 0.00 0.26 0.00 0.00 34.13 34.73 1xne s GLU 95 CO 0.35 -0.01 1.59 0.66 -0.54 0.00 0.00 175.26 177.32 1xne n TYR 96 N 0.46 3.13 0.00 5.30 4.02 -1.26 -4.85 117.16 123.95 1xne n TYR 96 Ca 0.01 -2.94 0.00 0.00 -0.01 0.00 0.00 57.90 54.96 1xne n TYR 96 Cb 0.59 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 1xne n TYR 96 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xne n ARG 97 N -0.12 0.00 -0.14 -0.72 1.74 -1.26 -5.08 116.66 111.08 1xne n ARG 97 Ca 0.43 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.22 1xne n ARG 97 Cb 0.30 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.64 1xne n ARG 97 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1xne n TYR 98 N 0.00 0.04 0.00 -1.55 9.36 -1.26 -5.12 117.16 118.63 1xne n TYR 98 Ca 0.00 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1xne n TYR 98 Cb 0.00 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 37.72 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xne n GLY 99 N 1.26 3.10 2.98 2.98 0.00 -1.26 -4.69 105.19 109.56 1xne n GLY 99 Ca -0.53 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1xne n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xne s VAL 100 N -2.00 1.62 -0.19 1.61 1.01 -1.26 -4.45 120.40 116.74 1xne s VAL 100 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 1xne s VAL 100 Cb 0.00 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.68 1xne s VAL 100 CO 0.00 0.07 0.69 -0.22 0.00 0.00 0.00 175.10 175.63 1xne s LEU 101 N 1.38 -0.64 -0.17 3.92 1.98 -1.26 -4.12 118.68 119.78 1xne s LEU 101 Ca -0.03 1.15 -0.04 0.00 -2.89 0.00 0.00 54.13 52.32 1xne s LEU 101 Cb -0.17 2.43 0.06 0.00 0.66 0.00 0.00 46.19 49.16 1xne s LEU 101 CO -0.07 -0.37 0.07 0.00 -1.89 0.00 0.00 176.35 174.08 1xne s ALA 102 N -0.19 0.60 -0.13 5.97 0.00 0.18 -4.24 121.76 123.95 1xne s ALA 102 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1xne s ALA 102 Cb -0.03 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1xne s ALA 102 CO 0.04 -1.10 -0.04 0.42 0.00 0.00 0.00 175.76 175.07 1xne s ILE 103 N 2.05 3.86 -0.28 0.00 1.01 0.93 0.15 121.20 128.92 1xne s ILE 103 Ca 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1xne s ILE 103 Cb -0.16 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1xne s ILE 103 CO -0.08 0.53 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1xne s LYS 104 N -0.03 3.00 0.16 2.79 1.02 0.28 0.25 119.74 127.21 1xne s LYS 104 Ca 0.01 -0.91 0.09 0.00 0.02 0.00 0.00 55.97 55.18 1xne s LYS 104 Cb -0.13 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1xne s LYS 104 CO 0.03 -0.44 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.23 1xne s PHE 105 N 1.44 1.89 -0.24 3.18 -0.12 -1.13 0.19 117.98 123.20 1xne s PHE 105 Ca 0.02 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1xne s PHE 105 Cb -0.17 -0.95 0.05 0.00 -0.63 0.00 0.00 43.02 41.32 1xne s PHE 105 CO 0.01 0.35 -0.10 0.50 -0.05 0.00 0.00 175.22 175.93 1xne s ARG 106 N -2.70 2.04 0.06 1.99 3.52 0.49 -4.78 118.95 119.56 1xne s ARG 106 Ca 0.16 -1.11 -0.34 0.00 -0.13 0.00 0.00 55.73 54.31 1xne s ARG 106 Cb -0.06 -2.69 -0.13 0.00 -1.56 0.00 0.00 34.95 30.51 1xne s ARG 106 CO 0.07 -0.53 1.73 1.55 -0.81 0.00 0.00 175.30 177.31 1xne n VAL 107 N 4.57 0.28 -2.78 7.11 3.14 -1.26 -0.66 118.33 128.71 1xne n VAL 107 Ca -0.14 -0.05 -0.42 0.00 -2.96 0.00 0.00 64.34 60.77 1xne n VAL 107 Cb 0.44 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.44 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 2.38 4.03 0.00 6.55 1.43 -0.70 -4.44 118.68 127.94 1xne s LEU 108 Ca 0.85 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1xne s LEU 108 Cb -0.66 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1xne s LEU 108 CO 0.43 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1xne n GLY 109 N 3.91 1.11 3.42 -3.19 0.00 -1.26 -4.62 105.19 104.55 1xne n GLY 109 Ca 0.08 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1xne n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xne n ARG 110 N 0.00 0.13 -2.83 1.61 0.63 -1.26 -4.93 116.66 110.01 1xne n ARG 110 Ca 0.00 0.09 -0.34 0.00 -0.92 0.00 0.00 57.85 56.68 1xne n ARG 110 Cb 0.00 -1.76 -0.07 0.00 0.45 0.00 0.00 32.46 31.08 1xne n ARG 110 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1xne s ASP 111 N -1.55 7.00 1.20 6.15 1.47 -1.26 -4.98 116.67 124.71 1xne s ASP 111 Ca 0.62 1.69 -0.18 0.00 1.18 0.00 0.00 52.55 55.86 1xne s ASP 111 Cb -0.31 -2.54 0.26 0.00 -0.34 0.00 0.00 42.92 39.99 1xne s ASP 111 CO 0.62 -0.30 0.58 2.29 0.68 0.00 0.00 175.17 179.04 1xne n LYS 112 N -0.41 -3.35 0.00 2.11 2.85 -1.26 -5.10 118.16 113.01 1xne n LYS 112 Ca 0.06 -0.99 0.16 0.00 -1.05 0.00 0.00 58.31 56.49 1xne n LYS 112 Cb 0.53 -1.68 0.93 0.00 -0.65 0.00 0.00 35.03 34.16 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44