#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 2.28 -0.03 2.12 2.20 -1.26 -4.91 119.74 120.13 1xne s LYS 2 Ca 0.00 -1.62 0.07 0.00 -0.36 0.00 0.00 55.97 54.06 1xne s LYS 2 Cb 0.00 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.21 1xne s LYS 2 CO 0.00 0.11 -0.24 0.08 -0.36 0.00 0.00 175.35 174.95 1xne s VAL 3 N -2.46 1.88 -0.19 4.02 1.01 -1.25 0.18 120.40 123.60 1xne s VAL 3 Ca 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1xne s VAL 3 Cb -0.02 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1xne s VAL 3 CO 0.22 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.46 1xne s TYR 4 N -0.41 2.10 -0.61 5.22 1.51 0.17 -4.96 117.35 120.37 1xne s TYR 4 Ca 0.05 -1.39 -0.24 0.00 -1.01 0.00 0.00 57.07 54.48 1xne s TYR 4 Cb -0.10 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.30 1xne s TYR 4 CO 0.00 -0.69 0.99 1.03 -1.11 0.00 0.00 175.55 175.77 1xne s ARG 5 N 1.50 3.24 -0.28 -0.62 0.52 -1.26 0.16 118.95 122.21 1xne s ARG 5 Ca -0.01 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1xne s ARG 5 Cb -0.16 -4.13 -0.02 0.00 0.52 0.00 0.00 34.95 31.16 1xne s ARG 5 CO -0.08 -1.68 0.11 -0.51 0.02 0.00 0.00 175.30 173.16 1xne s LEU 6 N 4.21 3.76 -0.30 2.53 1.43 0.41 -4.96 118.68 125.75 1xne s LEU 6 Ca 0.28 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.76 1xne s LEU 6 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1xne s LEU 6 CO 0.16 -0.11 1.01 -0.31 0.23 0.00 0.00 176.35 177.33 1xne s TYR 7 N 1.62 3.19 0.49 0.29 1.51 -1.26 0.89 117.35 124.07 1xne s TYR 7 Ca 0.05 1.16 0.03 0.00 -1.01 0.00 0.00 57.07 57.30 1xne s TYR 7 Cb -0.16 -3.54 -0.02 0.00 -0.11 0.00 0.00 41.96 38.13 1xne s TYR 7 CO 0.05 -0.68 0.04 -0.51 -1.11 0.00 0.00 175.55 173.34 1xne s LEU 8 N 3.45 2.45 0.06 -1.29 1.02 -1.26 -4.84 118.68 118.28 1xne s LEU 8 Ca 0.43 -1.55 -0.03 0.00 0.02 0.00 0.00 54.13 52.99 1xne s LEU 8 Cb -0.13 -0.82 -0.05 0.00 0.02 0.00 0.00 46.19 45.21 1xne s LEU 8 CO 0.13 -0.80 0.27 -0.54 0.02 0.00 0.00 176.35 175.44 1xne s LYS 9 N -3.88 3.53 0.55 1.70 1.02 -1.26 -4.74 119.74 116.65 1xne s LYS 9 Ca 0.14 -0.23 0.27 0.00 0.02 0.00 0.00 55.97 56.17 1xne s LYS 9 Cb 0.03 -3.00 1.46 0.00 -0.52 0.00 0.00 37.83 35.79 1xne s LYS 9 CO 0.08 0.58 1.98 0.22 -0.92 0.00 0.00 175.35 177.29 1xne h ASP 10 N 3.31 0.00 0.12 2.83 3.58 -2.01 1.48 116.42 125.73 1xne h ASP 10 Ca -0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 1xne h ASP 10 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1xne h ASP 10 CO 0.72 0.00 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.69 1xne h GLU 11 N 0.00 -0.15 -0.02 0.28 4.39 -2.00 -1.23 114.58 115.85 1xne h GLU 11 Ca 0.23 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.79 1xne h GLU 11 Cb 1.02 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1xne h GLU 11 CO -0.00 0.19 -0.60 1.88 -1.16 0.00 0.00 179.01 179.32 1xne h TYR 12 N -0.52 0.65 -0.83 4.33 0.05 -1.47 -3.24 116.97 115.93 1xne h TYR 12 Ca -0.02 -0.34 0.13 0.00 0.05 0.00 0.00 58.73 58.55 1xne h TYR 12 Cb 0.42 -0.08 -0.09 0.00 1.01 0.00 0.00 36.73 37.99 1xne h TYR 12 CO 0.04 1.15 0.44 1.25 -1.05 0.00 0.00 178.16 179.99 1xne h LEU 13 N -0.04 0.56 -0.79 3.88 5.85 0.19 -0.70 115.31 124.26 1xne h LEU 13 Ca -0.07 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.90 1xne h LEU 13 Cb 1.30 -0.02 -0.15 0.00 0.37 0.00 0.00 40.66 42.16 1xne h LEU 13 CO 0.12 0.27 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.29 1xne h GLU 14 N 0.67 0.03 -0.56 1.25 4.81 -1.24 0.45 114.58 119.98 1xne h GLU 14 Ca 0.44 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.72 1xne h GLU 14 Cb 0.55 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1xne h GLU 14 CO -0.32 0.02 0.28 0.52 -0.73 0.00 0.00 179.01 178.78 1xne h MET 15 N 0.03 0.52 -0.51 1.92 2.86 -1.24 0.11 114.93 118.63 1xne h MET 15 Ca 0.40 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1xne h MET 15 Cb 0.67 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1xne h MET 15 CO -0.77 0.34 0.33 0.28 1.06 0.00 0.00 176.91 178.15 1xne h VAL 16 N 0.54 1.14 -0.92 -2.22 2.07 -0.14 -0.31 116.25 116.41 1xne h VAL 16 Ca 0.26 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1xne h VAL 16 Cb 0.18 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1xne h VAL 16 CO -0.18 0.13 0.60 0.50 0.02 0.00 0.00 177.57 178.64 1xne h LYS 17 N 0.68 1.17 0.00 1.57 3.11 0.21 -0.13 116.57 123.18 1xne h LYS 17 Ca 0.18 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 1xne h LYS 17 Cb -0.06 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 30.90 1xne h LYS 17 CO -0.04 0.78 -0.22 0.66 -2.81 0.00 0.00 179.45 177.82 1xne h SER 18 N 1.21 0.00 0.00 4.20 4.64 0.05 -3.46 113.55 120.18 1xne h SER 18 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1xne h SER 18 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1xne h SER 18 CO -0.09 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1xne n GLY 19 N -0.84 2.93 0.22 -0.77 0.00 -0.06 -4.94 105.19 101.73 1xne n GLY 19 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.71 0.16 -6.23 1.61 1.57 -1.68 -3.37 116.57 110.34 1xne h LYS 20 Ca 0.00 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 1xne h LYS 20 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xne h LYS 20 CO 0.00 0.10 1.30 0.21 -0.57 0.00 0.00 179.45 180.49 1xne s LYS 21 N -6.14 3.38 0.00 3.15 2.36 -1.10 -4.62 119.74 116.77 1xne s LYS 21 Ca -0.13 1.60 0.00 0.00 -2.55 0.00 0.00 55.97 54.89 1xne s LYS 21 Cb 0.18 -4.21 0.00 0.00 -1.05 0.00 0.00 37.83 32.75 1xne s LYS 21 CO 0.73 -1.80 0.00 0.54 1.55 0.00 0.00 175.35 176.37 1xne n ARG 22 N 8.37 0.00 -4.02 4.03 5.12 -1.25 -4.69 116.66 124.22 1xne n ARG 22 Ca 0.24 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.81 1xne n ARG 22 Cb 0.46 -0.58 -0.12 0.00 -1.16 0.00 0.00 32.46 31.06 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 -1.81 4.27 -0.29 0.55 1.01 -1.26 -2.02 121.20 121.64 1xne s ILE 23 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1xne s ILE 23 Cb 0.00 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1xne s ILE 23 CO 0.00 0.42 0.06 -0.70 0.00 0.00 0.00 174.94 174.72 1xne s GLU 24 N 0.92 3.05 -0.44 2.79 2.56 -0.84 -4.42 118.70 122.32 1xne s GLU 24 Ca 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 54.97 54.04 1xne s GLU 24 Cb -0.14 -3.32 0.10 0.00 2.00 0.00 0.00 34.13 32.78 1xne s GLU 24 CO 0.02 -0.44 0.29 0.08 -0.56 0.00 0.00 175.26 174.65 1xne s VAL 25 N 1.47 4.02 -0.39 3.70 1.01 -1.26 -2.82 120.40 126.13 1xne s VAL 25 Ca 0.02 -1.72 0.09 0.00 0.00 0.00 0.00 61.98 60.37 1xne s VAL 25 Cb -0.17 -3.60 0.27 0.00 0.00 0.00 0.00 36.38 32.87 1xne s VAL 25 CO 0.01 -0.67 0.56 -1.14 0.00 0.00 0.00 175.10 173.87 1xne n ARG 26 N 4.85 0.76 -0.82 2.72 3.00 -1.26 -5.01 116.66 120.89 1xne n ARG 26 Ca -0.08 -3.24 0.11 0.00 -0.00 0.00 0.00 57.85 54.64 1xne n ARG 26 Cb 0.41 -1.30 -0.03 0.00 0.00 0.00 0.00 32.46 31.55 1xne n ARG 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1xne n VAL 27 N 1.21 0.00 -2.97 5.15 3.14 -1.26 -4.55 118.33 119.05 1xne n VAL 27 Ca 0.22 0.03 -0.24 0.00 -2.96 0.00 0.00 64.34 61.40 1xne n VAL 27 Cb 0.55 -0.30 -0.03 0.00 -1.06 0.00 0.00 33.84 33.00 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xne n ALA 28 N -1.63 3.87 -1.94 1.55 0.00 -1.26 -4.60 120.51 116.50 1xne n ALA 28 Ca 0.00 -4.23 -0.26 0.00 0.00 0.00 0.00 53.44 48.95 1xne n ALA 28 Cb 0.59 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 19.33 1xne n ALA 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xne s TYR 29 N -3.16 2.97 -1.11 0.00 1.51 -1.26 -4.86 117.35 111.44 1xne s TYR 29 Ca 0.45 0.52 -0.22 0.00 -1.01 0.00 0.00 57.07 56.82 1xne s TYR 29 Cb 0.32 -3.18 -0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1xne s TYR 29 CO -0.12 -1.39 1.76 -1.25 -1.11 0.00 0.00 175.55 173.45 1xne s PRO 30 N -5.27 3.18 0.24 -1.71 0.04 -1.26 -3.00 135.00 127.22 1xne s PRO 30 Ca 0.60 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1xne s PRO 30 Cb -0.11 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1xne s PRO 30 CO 0.46 -2.95 0.00 0.94 0.04 0.00 0.00 177.00 175.49 1xne n GLN 31 N 8.59 0.00 -0.24 4.56 0.00 -1.26 -4.95 117.38 124.08 1xne n GLN 31 Ca 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.43 1xne n GLN 31 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.73 1xne n GLN 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1xne n LEU 32 N -2.99 0.33 0.06 1.69 -0.00 -1.25 -4.78 117.00 110.07 1xne n LEU 32 Ca 0.00 -0.87 -0.11 0.00 -0.00 0.00 0.00 56.01 55.03 1xne n LEU 32 Cb 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 43.42 43.25 1xne n LEU 32 CO 0.00 0.21 -0.07 0.07 -0.00 0.00 0.00 177.39 177.60 1xne h LYS 33 N 0.00 0.09 0.00 1.47 5.09 -1.87 -3.21 116.57 118.14 1xne h LYS 33 Ca 0.00 -0.16 -0.09 0.00 0.09 0.00 0.00 60.65 60.49 1xne h LYS 33 Cb 1.16 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 1xne h LYS 33 CO 0.00 0.99 -0.44 0.22 -2.09 0.00 0.00 179.45 178.13 1xne h ASP 34 N 0.03 0.00 -2.65 7.07 3.58 -1.86 -3.45 116.42 119.13 1xne h ASP 34 Ca -0.11 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.77 1xne h ASP 34 Cb 1.88 0.00 0.20 0.00 1.72 0.00 0.00 39.33 43.13 1xne h ASP 34 CO 0.14 0.44 -0.94 0.00 -2.88 0.00 0.00 179.24 176.00 1xne n ILE 35 N -3.56 0.77 -3.83 2.25 3.06 -1.22 -4.99 119.36 111.83 1xne n ILE 35 Ca -0.00 -0.43 -0.10 0.00 -2.50 0.00 0.00 62.75 59.72 1xne n ILE 35 Cb 0.55 -0.38 0.02 0.00 0.54 0.00 0.00 39.64 40.37 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 -2.23 2.26 0.42 9.51 -2.85 -1.26 -4.91 119.74 120.66 1xne s LYS 36 Ca 0.57 -1.52 -0.27 0.00 -1.00 0.00 0.00 55.97 53.75 1xne s LYS 36 Cb -0.33 0.61 -0.10 0.00 -2.06 0.00 0.00 37.83 35.95 1xne s LYS 36 CO 0.67 -1.05 1.46 -2.13 0.10 0.00 0.00 175.35 174.40 1xne n ARG 37 N -0.54 2.46 0.00 1.78 0.63 -1.26 -2.64 116.66 117.08 1xne n ARG 37 Ca -0.08 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1xne n ARG 37 Cb 0.60 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.86 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 0.52 2.64 3.99 5.14 0.00 -1.20 -5.03 105.19 111.23 1xne n GLY 38 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1xne n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xne s ASP 39 N -1.44 4.34 0.04 1.61 1.11 -1.08 -4.24 116.67 117.00 1xne s ASP 39 Ca 0.00 -0.28 0.05 0.00 0.18 0.00 0.00 52.55 52.49 1xne s ASP 39 Cb 0.00 -0.11 -0.02 0.00 1.07 0.00 0.00 42.92 43.86 1xne s ASP 39 CO 0.00 -1.87 -0.14 -0.75 1.18 0.00 0.00 175.17 173.59 1xne s LYS 40 N -5.17 0.94 -0.05 8.23 2.20 0.49 -1.81 119.74 124.57 1xne s LYS 40 Ca 0.66 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1xne s LYS 40 Cb -0.06 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.33 1xne s LYS 40 CO 0.44 0.23 -0.14 0.42 -0.36 0.00 0.00 175.35 175.94 1xne s ILE 41 N -0.83 1.25 -0.18 5.43 1.01 0.49 -0.66 121.20 127.72 1xne s ILE 41 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1xne s ILE 41 Cb -0.08 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1xne s ILE 41 CO 0.01 0.37 -0.11 -0.63 0.00 0.00 0.00 174.94 174.58 1xne s ILE 42 N 0.30 2.97 -0.20 2.92 -1.09 0.42 0.19 121.20 126.71 1xne s ILE 42 Ca -0.08 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.56 1xne s ILE 42 Cb -0.13 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1xne s ILE 42 CO 0.03 0.49 0.24 -0.36 -1.23 0.00 0.00 174.94 174.11 1xne s PHE 43 N 1.00 3.39 -1.51 3.97 0.08 -0.46 0.15 117.98 124.60 1xne s PHE 43 Ca -0.01 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.48 1xne s PHE 43 Cb -0.15 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1xne s PHE 43 CO -0.02 0.15 0.00 0.09 -0.10 0.00 0.00 175.22 175.34 1xne n ASN 44 N 3.94 -5.56 -3.72 1.36 4.13 0.26 -2.41 115.26 113.26 1xne n ASN 44 Ca -0.13 0.35 -0.33 0.00 1.68 0.00 0.00 54.58 56.16 1xne n ASN 44 Cb 0.52 -4.38 0.04 0.00 -1.54 0.00 0.00 39.78 34.42 1xne n ASN 44 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1xne n ASP 45 N -1.21 -5.25 0.04 6.41 8.00 -1.26 -4.77 116.55 118.51 1xne n ASP 45 Ca -0.14 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1xne n ASP 45 Cb 0.62 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xne n LEU 46 N -4.21 -0.74 -4.43 0.64 7.94 -1.01 -5.08 117.00 110.12 1xne n LEU 46 Ca -0.10 0.16 -0.41 0.00 -1.11 0.00 0.00 56.01 54.55 1xne n LEU 46 Cb 0.59 1.10 -0.11 0.00 0.53 0.00 0.00 43.42 45.53 1xne n LEU 46 CO 0.68 -0.36 -0.13 -0.63 -1.11 0.00 0.00 177.39 175.84 1xne s ILE 47 N -2.00 4.91 0.65 1.96 1.01 -1.11 -4.98 121.20 121.64 1xne s ILE 47 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 1xne s ILE 47 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1xne s ILE 47 CO 0.00 -0.20 1.05 -2.16 0.00 0.00 0.00 174.94 173.63 1xne s PRO 48 N 1.63 3.14 -0.07 2.79 0.04 -1.26 -1.35 135.00 139.92 1xne s PRO 48 Ca 0.04 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 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 0.08 -0.94 0.38 0.00 0.04 0.00 0.00 177.00 176.56 1xne s ALA 49 N -2.79 -0.95 -0.02 8.56 0.00 0.49 -2.41 121.76 124.64 1xne s ALA 49 Ca 0.60 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1xne s ALA 49 Cb -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1xne s ALA 49 CO 0.47 -0.24 -0.03 -2.00 0.00 0.00 0.00 175.76 173.95 1xne s GLU 50 N -0.75 2.74 -0.37 0.00 2.12 0.63 0.18 118.70 123.25 1xne s GLU 50 Ca -0.08 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 1xne s GLU 50 Cb -0.04 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.74 1xne s GLU 50 CO 0.03 0.64 1.21 0.08 -0.54 0.00 0.00 175.26 176.68 1xne s VAL 51 N -0.99 4.23 -0.12 3.70 1.01 -0.75 0.45 120.40 127.93 1xne s VAL 51 Ca 0.17 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 1xne s VAL 51 Cb -0.11 -4.36 -0.27 0.00 0.00 0.00 0.00 36.38 31.64 1xne s VAL 51 CO 0.07 -0.66 0.82 0.58 0.00 0.00 0.00 175.10 175.91 1xne h VAL 52 N 6.04 1.73 -1.45 2.92 2.07 -0.05 -3.19 116.25 124.32 1xne h VAL 52 Ca -0.24 -2.32 0.11 0.00 0.82 0.00 0.00 66.70 65.07 1xne h VAL 52 Cb 1.08 3.29 -0.26 0.00 -1.52 0.00 0.00 31.29 33.88 1xne h VAL 52 CO 1.07 0.61 0.61 -0.70 0.02 0.00 0.00 177.57 179.17 1xne s GLU 53 N -2.37 0.43 -0.04 1.57 2.56 -0.52 -4.75 118.70 115.58 1xne s GLU 53 Ca -0.18 0.28 0.05 0.00 0.00 0.00 0.00 54.97 55.11 1xne s GLU 53 Cb -0.02 0.21 -0.02 0.00 2.00 0.00 0.00 34.13 36.29 1xne s GLU 53 CO 0.71 -0.10 -0.17 0.54 -0.56 0.00 0.00 175.26 175.68 1xne s VAL 54 N -0.49 2.79 -0.01 3.70 0.11 -1.26 0.11 120.40 125.35 1xne s VAL 54 Ca 0.02 -0.83 -0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1xne s VAL 54 Cb -0.03 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.77 1xne s VAL 54 CO -0.04 0.59 0.01 -0.54 -3.33 0.00 0.00 175.10 171.79 1xne s LYS 55 N -0.68 -0.01 0.00 1.54 1.02 -0.64 -4.98 119.74 115.99 1xne s LYS 55 Ca 0.11 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.22 1xne s LYS 55 Cb -0.11 -0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 1xne s LYS 55 CO 0.00 -0.05 -0.19 0.21 -0.92 0.00 0.00 175.35 174.40 1xne s LYS 56 N 0.32 1.45 0.23 1.68 2.20 -1.26 -1.99 119.74 122.36 1xne s LYS 56 Ca -0.03 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1xne s LYS 56 Cb -0.04 -1.44 -0.01 0.00 -1.51 0.00 0.00 37.83 34.84 1xne s LYS 56 CO -0.01 0.39 0.10 0.66 -0.36 0.00 0.00 175.35 176.13 1xne n TYR 57 N 2.41 -0.03 -0.05 4.03 4.01 -1.25 -5.05 117.16 121.23 1xne n TYR 57 Ca -0.16 -1.54 -0.09 0.00 -0.16 0.00 0.00 57.90 55.95 1xne n TYR 57 Cb 0.54 0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 1xne n TYR 57 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1xne n GLU 58 N -0.50 0.24 -3.31 -0.72 1.02 -1.26 -4.73 120.64 111.37 1xne n GLU 58 Ca -0.02 0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 56.82 1xne n GLU 58 Cb 0.35 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.68 1xne n GLU 58 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xne s THR 59 N -2.20 5.16 0.21 2.62 2.01 -1.26 -4.82 115.64 117.36 1xne s THR 59 Ca -0.14 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.68 1xne s THR 59 Cb 0.05 -3.80 0.09 0.00 0.01 0.00 0.00 72.50 68.85 1xne s THR 59 CO 0.21 0.25 1.70 2.19 -0.69 0.00 0.00 174.62 178.27 1xne h PHE 60 N 7.17 1.07 -0.44 4.92 -0.00 -1.91 -2.53 116.94 125.22 1xne h PHE 60 Ca -0.37 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.97 57.43 1xne h PHE 60 Cb 1.16 -0.29 -0.02 0.00 -0.00 0.00 0.00 35.95 36.81 1xne h PHE 60 CO 0.67 0.94 0.24 -0.09 -0.00 0.00 0.00 178.31 180.06 1xne h ARG 61 N 0.92 0.61 -0.67 6.09 1.12 -1.99 -2.10 114.38 118.36 1xne h ARG 61 Ca 0.17 -0.07 0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1xne h ARG 61 Cb 0.49 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.29 1xne h ARG 61 CO 0.02 0.48 0.44 0.37 -3.11 0.00 0.00 179.97 178.17 1xne h GLN 62 N 0.57 0.76 -0.86 0.20 -0.00 -1.93 -0.30 115.11 113.54 1xne h GLN 62 Ca 0.15 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.80 1xne h GLN 62 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 27.48 27.31 1xne h GLN 62 CO -0.03 0.50 0.56 0.28 0.00 0.00 0.00 178.83 180.15 1xne h VAL 63 N 0.78 1.12 0.00 2.39 2.07 -0.96 0.36 116.25 122.02 1xne h VAL 63 Ca 0.27 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1xne h VAL 63 Cb 0.11 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1xne h VAL 63 CO -0.08 0.19 -0.09 -0.07 0.02 0.00 0.00 177.57 177.54 1xne h LEU 64 N 1.04 0.00 0.13 2.57 -0.00 -0.83 0.41 115.31 118.64 1xne h LEU 64 Ca 0.35 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 58.05 1xne h LEU 64 Cb 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1xne h LEU 64 CO -0.11 0.09 -0.81 0.03 -0.00 0.00 0.00 178.44 177.65 1xne h ARG 65 N 0.00 0.27 0.11 1.13 2.47 0.10 -3.40 114.38 115.06 1xne h ARG 65 Ca -0.00 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1xne h ARG 65 Cb 0.65 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1xne h ARG 65 CO 0.01 1.22 -0.05 0.93 0.56 0.00 0.00 179.97 182.64 1xne h GLU 66 N -0.42 -0.14 -7.04 0.04 4.39 -0.50 -3.46 114.58 107.46 1xne h GLU 66 Ca -0.15 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.10 1xne h GLU 66 Cb 1.60 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1xne h GLU 66 CO 0.13 -0.09 0.37 -1.21 -1.16 0.00 0.00 179.01 177.05 1xne s GLU 67 N -1.99 4.07 0.98 2.33 0.41 0.14 -5.05 118.70 119.60 1xne s GLU 67 Ca -0.02 1.30 -0.15 0.00 -0.41 0.00 0.00 54.97 55.69 1xne s GLU 67 Cb 0.00 -2.25 0.18 0.00 -1.78 0.00 0.00 34.13 30.29 1xne s GLU 67 CO 0.06 -0.19 1.17 -1.25 -0.49 0.00 0.00 175.26 174.57 1xne s PRO 68 N -3.01 0.53 -0.09 0.39 0.04 -1.26 -4.38 135.00 127.21 1xne s PRO 68 Ca 0.63 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1xne s PRO 68 Cb -0.15 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1xne s PRO 68 CO 0.19 -2.57 -0.05 -0.89 0.04 0.00 0.00 177.00 173.72 1xne n ILE 69 N -3.98 0.57 -0.22 0.56 5.41 -1.26 -4.04 119.36 116.40 1xne n ILE 69 Ca 0.10 -0.26 0.01 0.00 1.00 0.00 0.00 62.75 63.60 1xne n ILE 69 Cb 0.59 -0.84 0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 0.23 0.28 4.38 2.03 -1.94 1.34 116.42 122.73 1xne h ASP 70 Ca -0.22 0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.15 1xne h ASP 70 Cb 1.39 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.96 1xne h ASP 70 CO -0.02 0.12 -0.13 0.11 -1.03 0.00 0.00 179.24 178.29 1xne h LYS 71 N 0.41 -0.36 -0.32 4.15 1.57 -1.82 -3.27 116.57 116.94 1xne h LYS 71 Ca 0.33 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 1xne h LYS 71 Cb 0.43 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1xne h LYS 71 CO -0.33 -0.02 -0.38 0.82 -0.57 0.00 0.00 179.45 178.97 1xne h ILE 72 N -0.91 0.18 -3.31 1.86 2.04 -1.59 -3.34 117.51 112.43 1xne h ILE 72 Ca -0.04 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.19 1xne h ILE 72 Cb 0.51 0.18 -0.34 0.00 -0.74 0.00 0.00 36.82 36.43 1xne h ILE 72 CO 0.06 0.00 -0.86 -0.36 0.00 0.00 0.00 178.15 176.99 1xne s PHE 73 N -5.93 2.31 0.15 1.37 0.08 0.46 -4.84 117.98 111.57 1xne s PHE 73 Ca -0.15 -1.01 0.13 0.00 0.12 0.00 0.00 56.93 56.02 1xne s PHE 73 Cb 0.12 -1.58 0.29 0.00 -0.57 0.00 0.00 43.02 41.28 1xne s PHE 73 CO 0.66 -0.45 1.56 -1.00 -0.10 0.00 0.00 175.22 175.89 1xne h PRO 74 N 7.00 0.00 0.00 0.24 0.13 -1.77 -2.84 132.00 134.76 1xne h PRO 74 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xne h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xne h PRO 74 CO 0.49 0.61 0.00 -0.44 -0.23 0.00 0.00 178.00 178.43 1xne h ASP 75 N 0.00 0.00 -5.88 1.44 3.32 -1.91 -3.46 116.42 109.92 1xne h ASP 75 Ca -0.01 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1xne h ASP 75 Cb 1.22 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.84 1xne h ASP 75 CO 0.08 0.00 -0.67 0.29 -1.72 0.00 0.00 179.24 177.22 1xne n LYS 76 N -2.32 -1.51 -1.53 3.56 5.02 -1.07 -4.97 118.16 115.34 1xne n LYS 76 Ca -0.01 0.89 -0.29 0.00 -2.02 0.00 0.00 58.31 56.88 1xne n LYS 76 Cb 0.07 -4.71 0.17 0.00 -0.02 0.00 0.00 35.03 30.54 1xne n LYS 76 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xne s PRO 77 N -4.63 0.55 0.24 1.97 0.04 -1.26 -5.05 135.00 126.86 1xne s PRO 77 Ca 0.27 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 1xne s PRO 77 Cb -0.07 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1xne s PRO 77 CO 0.81 -2.56 0.47 -1.12 0.04 0.00 0.00 177.00 174.65 1xne s SER 78 N -4.19 6.42 0.32 6.66 0.01 -1.26 -4.81 113.70 116.84 1xne s SER 78 Ca 0.67 0.57 0.09 0.00 1.31 0.00 0.00 55.95 58.60 1xne s SER 78 Cb -0.11 -2.08 0.90 0.00 0.21 0.00 0.00 66.02 64.93 1xne s SER 78 CO 0.54 -0.11 1.69 0.15 0.41 0.00 0.00 173.24 175.91 1xne h PHE 79 N 1.89 0.83 -0.03 2.43 3.57 -1.98 1.40 116.94 125.06 1xne h PHE 79 Ca -0.48 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 60.91 1xne h PHE 79 Cb 1.19 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1xne h PHE 79 CO 0.57 -0.07 -0.57 1.49 -2.23 0.00 0.00 178.31 177.49 1xne h GLU 80 N 0.41 0.43 0.27 1.11 4.22 -1.99 -2.90 114.58 116.13 1xne h GLU 80 Ca 0.65 -0.43 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1xne h GLU 80 Cb 1.32 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1xne h GLU 80 CO -0.55 1.09 -0.13 -0.22 -2.18 0.00 0.00 179.01 177.01 1xne h LYS 81 N -0.06 -0.35 -1.01 1.92 3.64 -1.12 -1.69 116.57 117.90 1xne h LYS 81 Ca -0.06 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.58 1xne h LYS 81 Cb 1.27 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 33.05 1xne h LYS 81 CO 0.11 -0.22 0.60 0.00 -2.27 0.00 0.00 179.45 177.68 1xne h ALA 82 N 0.34 1.79 -0.79 5.00 0.00 0.17 1.64 119.26 127.41 1xne h ALA 82 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xne h ALA 82 Cb 0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xne h ALA 82 CO 0.06 -0.24 0.43 1.25 0.00 0.00 0.00 179.25 180.74 1xne h LEU 83 N 0.61 1.00 -0.03 0.00 7.12 -1.15 -0.03 115.31 122.82 1xne h LEU 83 Ca 0.63 -0.10 -0.07 0.00 0.13 0.00 0.00 57.88 58.47 1xne h LEU 83 Cb 1.18 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1xne h LEU 83 CO -0.45 0.82 -0.24 0.50 -0.13 0.00 0.00 178.44 178.93 1xne h LYS 84 N 1.10 0.22 -0.69 1.25 3.64 0.14 -2.48 116.57 119.76 1xne h LYS 84 Ca 0.28 -0.19 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 1xne h LYS 84 Cb 0.05 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.80 1xne h LYS 84 CO -0.04 0.87 0.11 -0.09 -2.27 0.00 0.00 179.45 178.03 1xne h ARG 85 N -0.36 0.21 -0.61 1.90 9.65 0.22 1.49 114.38 126.88 1xne h ARG 85 Ca -0.02 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1xne h ARG 85 Cb 0.93 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 1xne h ARG 85 CO 0.05 0.14 0.13 0.74 2.80 0.00 0.00 179.97 183.82 1xne h PHE 86 N 0.21 1.05 0.43 2.20 0.04 -1.04 -3.27 116.94 116.56 1xne h PHE 86 Ca 0.38 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 1xne h PHE 86 Cb 0.63 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1xne h PHE 86 CO -0.30 0.89 -0.21 1.25 -0.60 0.00 0.00 178.31 179.34 1xne h HIS 87 N 0.90 -0.53 -1.97 -0.55 2.76 -0.38 -3.41 115.15 111.97 1xne h HIS 87 Ca 0.19 -0.01 -0.58 0.00 -2.20 0.00 0.00 60.37 57.77 1xne h HIS 87 Cb 0.39 0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1xne h HIS 87 CO 0.03 -0.33 1.51 1.21 -1.30 0.00 0.00 177.93 179.04 1xne s ASN 88 N -4.16 5.34 0.04 3.26 3.84 0.49 -4.06 114.94 119.70 1xne s ASN 88 Ca -0.08 1.78 0.00 0.00 0.21 0.00 0.00 52.86 54.77 1xne s ASN 88 Cb 0.01 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1xne s ASN 88 CO 0.25 -2.06 0.00 0.80 -2.79 0.00 0.00 177.10 173.30 1xne n MET 89 N 8.79 0.00 -4.16 0.43 1.56 -1.26 -4.73 117.12 117.75 1xne n MET 89 Ca 0.30 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.47 1xne n MET 89 Cb 0.46 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.76 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 -2.00 2.97 -1.14 1.12 2.02 -1.26 -5.01 117.35 114.05 1xne s TYR 90 Ca 0.00 -0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.47 1xne s TYR 90 Cb 0.00 -1.43 -0.07 0.00 -0.40 0.00 0.00 41.96 40.07 1xne s TYR 90 CO 0.00 0.52 2.21 -0.35 -1.57 0.00 0.00 175.55 176.36 1xne n PRO 91 N -0.24 2.36 0.00 -1.71 -0.04 -1.26 -4.74 135.00 129.36 1xne n PRO 91 Ca -0.09 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1xne n PRO 91 Cb 0.55 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1xne n PRO 91 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xne n LYS 92 N 5.67 0.00 0.00 0.54 5.02 -1.26 -4.77 118.16 123.37 1xne n LYS 92 Ca 0.54 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1xne n LYS 92 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 1xne n LYS 92 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1xne n TRP 93 N 0.00 0.00 -3.63 2.13 -0.00 -1.26 -4.64 117.44 110.05 1xne n TRP 93 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 1xne n TRP 93 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 1xne n TRP 93 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1xne s LYS 94 N 0.00 0.29 -0.01 5.87 1.02 -1.26 -5.13 119.74 120.52 1xne s LYS 94 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 1xne s LYS 94 Cb 0.00 0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1xne s LYS 94 CO 0.00 -0.07 1.48 -1.83 -0.92 0.00 0.00 175.35 174.01 1xne s GLU 95 N -0.54 4.25 0.00 1.68 -1.05 -1.26 -4.93 118.70 116.84 1xne s GLU 95 Ca 0.04 2.04 -0.18 0.00 -0.15 0.00 0.00 54.97 56.73 1xne s GLU 95 Cb -0.03 -3.67 0.06 0.00 -0.44 0.00 0.00 34.13 30.06 1xne s GLU 95 CO -0.07 -0.66 0.84 0.98 0.95 0.00 0.00 175.26 177.30 1xne n TYR 96 N 5.83 -0.39 -4.46 4.83 9.36 -1.26 -5.16 117.16 125.92 1xne n TYR 96 Ca 0.14 -0.51 -0.34 0.00 3.32 0.00 0.00 57.90 60.51 1xne n TYR 96 Cb 0.43 0.24 -0.11 0.00 -0.63 0.00 0.00 39.34 39.27 1xne n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1xne s ARG 97 N -2.01 3.17 1.07 2.98 3.00 -1.26 -5.10 118.95 120.80 1xne s ARG 97 Ca 0.20 -0.49 -0.14 0.00 0.00 0.00 0.00 55.73 55.30 1xne s ARG 97 Cb -0.01 -2.78 0.17 0.00 0.00 0.00 0.00 34.95 32.34 1xne s ARG 97 CO 0.00 0.52 0.68 0.98 0.00 0.00 0.00 175.30 177.48 1xne n TYR 98 N 2.68 -0.91 -2.07 -0.53 9.36 -1.26 -4.93 117.16 119.50 1xne n TYR 98 Ca -0.18 0.10 -0.36 0.00 3.32 0.00 0.00 57.90 60.77 1xne n TYR 98 Cb 0.53 -1.74 0.02 0.00 -0.63 0.00 0.00 39.34 37.52 1xne n TYR 98 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1xne s GLY 99 N -2.24 2.76 -0.34 2.98 0.00 -1.26 -4.86 107.32 104.36 1xne s GLY 99 Ca 0.63 1.01 0.02 0.00 0.00 0.00 0.00 44.72 46.38 1xne s GLY 99 CO 0.64 1.43 0.05 0.14 0.00 0.00 0.00 173.10 175.37 1xne s VAL 100 N -1.56 2.52 -0.18 1.40 1.01 -1.26 -4.55 120.40 117.78 1xne s VAL 100 Ca 0.73 -2.09 -0.26 0.00 0.00 0.00 0.00 61.98 60.35 1xne s VAL 100 Cb -0.30 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1xne s VAL 100 CO 0.35 -0.48 0.67 -0.22 0.00 0.00 0.00 175.10 175.41 1xne s LEU 101 N 1.01 -0.58 -0.25 3.92 1.98 -1.26 -3.96 118.68 119.54 1xne s LEU 101 Ca 0.06 1.10 -0.02 0.00 -2.89 0.00 0.00 54.13 52.38 1xne s LEU 101 Cb -0.20 2.38 0.12 0.00 0.66 0.00 0.00 46.19 49.16 1xne s LEU 101 CO -0.06 -0.38 0.31 0.00 -1.89 0.00 0.00 176.35 174.33 1xne s ALA 102 N -0.24 -0.66 -0.17 5.97 0.00 -0.84 -4.31 121.76 121.51 1xne s ALA 102 Ca -0.04 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1xne s ALA 102 Cb -0.03 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1xne s ALA 102 CO 0.04 -1.41 0.05 0.42 0.00 0.00 0.00 175.76 174.87 1xne s ILE 103 N 2.42 4.70 -0.31 0.00 1.01 -1.13 -1.62 121.20 126.28 1xne s ILE 103 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 1xne s ILE 103 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1xne s ILE 103 CO -0.20 0.49 0.23 -0.54 0.00 0.00 0.00 174.94 174.91 1xne s LYS 104 N 0.18 3.70 0.10 2.79 1.02 0.31 -1.98 119.74 125.86 1xne s LYS 104 Ca 0.04 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1xne s LYS 104 Cb -0.12 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1xne s LYS 104 CO 0.01 -0.33 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.37 1xne s PHE 105 N 1.75 1.35 -0.12 3.18 -0.12 -0.86 0.70 117.98 123.87 1xne s PHE 105 Ca 0.07 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1xne s PHE 105 Cb -0.17 -0.73 0.02 0.00 -0.63 0.00 0.00 43.02 41.51 1xne s PHE 105 CO 0.11 0.11 -0.13 1.03 -0.05 0.00 0.00 175.22 176.29 1xne s ARG 106 N -2.26 2.09 0.01 1.99 0.52 0.17 -4.69 118.95 116.78 1xne s ARG 106 Ca 0.04 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 1xne s ARG 106 Cb -0.07 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 1xne s ARG 106 CO 0.03 -0.15 1.74 0.54 0.02 0.00 0.00 175.30 177.47 1xne s VAL 107 N 1.27 3.26 -0.77 3.52 0.11 -1.26 -0.27 120.40 126.26 1xne s VAL 107 Ca -0.01 0.45 -0.26 0.00 -2.93 0.00 0.00 61.98 59.23 1xne s VAL 107 Cb -0.14 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1xne s VAL 107 CO -0.06 -0.03 1.50 -0.76 -3.33 0.00 0.00 175.10 172.43 1xne s LEU 108 N 3.74 3.25 0.00 2.54 1.43 -1.01 -4.37 118.68 124.27 1xne s LEU 108 Ca 0.78 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xne s LEU 108 Cb -0.38 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1xne s LEU 108 CO 0.34 -1.98 0.00 0.61 0.23 0.00 0.00 176.35 175.54 1xne n GLY 109 N 5.85 -1.30 3.08 -3.19 0.00 -1.26 -4.75 105.19 103.63 1xne n GLY 109 Ca 0.16 0.50 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -1.36 1.61 -4.01 -1.26 -4.56 116.66 107.08 1xne n ARG 110 Ca 0.00 0.00 0.16 0.00 -1.04 0.00 0.00 57.85 56.97 1xne n ARG 110 Cb 0.00 -0.95 -0.08 0.00 -3.04 0.00 0.00 32.46 28.39 1xne n ARG 110 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1xne n ASP 111 N 2.36 -7.21 -1.30 2.89 -0.08 -1.26 -4.96 116.55 106.99 1xne n ASP 111 Ca 0.08 1.21 0.15 0.00 -1.51 0.00 0.00 54.79 54.72 1xne n ASP 111 Cb 0.44 -4.58 -0.07 0.00 2.34 0.00 0.00 41.12 39.26 1xne n ASP 111 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1xne n LYS 112 N -4.18 -2.69 0.00 -0.67 4.81 -1.26 -5.09 118.16 109.07 1xne n LYS 112 Ca -0.07 2.09 0.00 0.00 -0.87 0.00 0.00 58.31 59.46 1xne n LYS 112 Cb 0.63 -3.28 0.02 0.00 0.02 0.00 0.00 35.03 32.42 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66