#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 3.24 -0.12 2.12 1.02 -1.26 -4.76 119.74 119.98 1xne s LYS 2 Ca 0.00 1.21 0.03 0.00 0.02 0.00 0.00 55.97 57.23 1xne s LYS 2 Cb 0.00 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1xne s LYS 2 CO 0.00 -0.87 -0.22 0.08 -0.92 0.00 0.00 175.35 173.41 1xne s VAL 3 N -2.48 2.00 -0.34 3.17 1.01 -1.25 -0.04 120.40 122.46 1xne s VAL 3 Ca 0.63 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1xne s VAL 3 Cb -0.16 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.55 1xne s VAL 3 CO 0.39 0.54 0.07 -0.31 0.00 0.00 0.00 175.10 175.78 1xne s TYR 4 N 0.58 3.53 -0.63 5.22 1.51 0.09 -4.95 117.35 122.70 1xne s TYR 4 Ca -0.13 -2.47 -0.26 0.00 -1.01 0.00 0.00 57.07 53.20 1xne s TYR 4 Cb -0.17 -2.70 0.04 0.00 -0.11 0.00 0.00 41.96 39.02 1xne s TYR 4 CO 0.04 -0.91 1.11 1.03 -1.11 0.00 0.00 175.55 175.71 1xne s ARG 5 N 1.08 3.31 -0.25 -0.62 0.52 -1.26 0.89 118.95 122.63 1xne s ARG 5 Ca 0.04 -0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1xne s ARG 5 Cb -0.20 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 1xne s ARG 5 CO -0.05 -1.78 0.10 -0.51 0.02 0.00 0.00 175.30 173.09 1xne s LEU 6 N 4.76 3.66 -0.27 2.53 1.43 0.32 -4.93 118.68 126.19 1xne s LEU 6 Ca 0.34 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1xne s LEU 6 Cb -0.10 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1xne s LEU 6 CO 0.18 -0.01 0.92 -0.31 0.23 0.00 0.00 176.35 177.36 1xne s TYR 7 N 1.47 3.26 0.48 0.29 1.51 -1.26 0.11 117.35 123.21 1xne s TYR 7 Ca 0.06 1.15 0.01 0.00 -1.01 0.00 0.00 57.07 57.29 1xne s TYR 7 Cb -0.15 -3.26 -0.00 0.00 -0.11 0.00 0.00 41.96 38.43 1xne s TYR 7 CO 0.05 -0.53 0.04 1.28 -1.11 0.00 0.00 175.55 175.29 1xne n LEU 8 N 6.29 0.00 -4.95 -1.29 4.32 -1.26 -4.84 117.00 115.27 1xne n LEU 8 Ca 0.08 -3.19 -0.20 0.00 -0.02 0.00 0.00 56.01 52.68 1xne n LEU 8 Cb 0.47 0.56 -0.01 0.00 -1.62 0.00 0.00 43.42 42.82 1xne n LEU 8 CO 0.51 -0.46 0.02 -0.54 -1.22 0.00 0.00 177.39 175.70 1xne s LYS 9 N -3.76 3.00 0.23 3.23 1.02 -1.26 -4.75 119.74 117.45 1xne s LYS 9 Ca 0.06 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 54.91 1xne s LYS 9 Cb 0.00 -2.72 0.23 0.00 -0.52 0.00 0.00 37.83 34.82 1xne s LYS 9 CO 0.04 0.07 1.72 0.22 -0.92 0.00 0.00 175.35 176.48 1xne h ASP 10 N 0.99 0.88 -0.27 2.83 3.58 -2.02 1.44 116.42 123.86 1xne h ASP 10 Ca -0.45 -0.23 0.05 0.00 0.42 0.00 0.00 57.03 56.82 1xne h ASP 10 Cb 1.26 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 42.03 1xne h ASP 10 CO 0.54 0.93 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.49 1xne h GLU 11 N 0.84 0.05 0.09 0.28 4.39 -1.99 0.74 114.58 118.98 1xne h GLU 11 Ca 0.16 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 1xne h GLU 11 Cb 0.49 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1xne h GLU 11 CO 0.02 0.03 -0.60 1.88 -1.16 0.00 0.00 179.01 179.19 1xne h TYR 12 N 0.05 0.33 -0.96 4.33 0.05 -1.91 -3.31 116.97 115.54 1xne h TYR 12 Ca 0.13 -0.24 0.15 0.00 0.05 0.00 0.00 58.73 58.82 1xne h TYR 12 Cb 0.18 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.82 1xne h TYR 12 CO -0.23 1.23 0.61 1.25 -1.05 0.00 0.00 178.16 179.97 1xne h LEU 13 N -0.61 0.78 -0.99 3.88 5.85 0.21 0.12 115.31 124.55 1xne h LEU 13 Ca -0.11 0.06 0.23 0.00 0.84 0.00 0.00 57.88 58.89 1xne h LEU 13 Cb 1.42 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 1xne h LEU 13 CO 0.08 0.37 0.58 -0.33 -0.34 0.00 0.00 178.44 178.80 1xne h GLU 14 N 0.81 0.59 -0.22 1.25 5.08 0.42 0.14 114.58 122.66 1xne h GLU 14 Ca 0.50 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1xne h GLU 14 Cb 0.70 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1xne h GLU 14 CO -0.27 0.39 0.12 0.52 -1.00 0.00 0.00 179.01 178.78 1xne h MET 15 N 0.61 0.31 -0.89 2.33 2.86 -0.88 0.17 114.93 119.44 1xne h MET 15 Ca 0.62 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.26 1xne h MET 15 Cb 1.12 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1xne h MET 15 CO -0.46 0.28 0.57 0.28 1.06 0.00 0.00 176.91 178.64 1xne h VAL 16 N 0.26 1.13 -0.55 -2.22 2.07 -0.75 -0.01 116.25 116.17 1xne h VAL 16 Ca 0.08 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1xne h VAL 16 Cb 0.06 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1xne h VAL 16 CO -0.01 0.20 0.01 0.11 0.02 0.00 0.00 177.57 177.89 1xne h LYS 17 N 1.10 0.94 0.00 1.57 1.79 -0.62 -1.86 116.57 119.49 1xne h LYS 17 Ca 0.36 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1xne h LYS 17 Cb 0.04 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1xne h LYS 17 CO -0.13 0.93 -0.16 0.66 -1.08 0.00 0.00 179.45 179.67 1xne h SER 18 N 0.87 0.00 0.00 0.86 4.64 0.76 -3.46 113.55 117.22 1xne h SER 18 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xne h SER 18 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1xne h SER 18 CO 0.02 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1xne n GLY 19 N -0.72 0.90 0.30 -0.77 0.00 -0.16 -4.91 105.19 99.83 1xne n GLY 19 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 3.70 0.51 -6.50 1.61 1.79 -1.71 -3.37 116.57 112.60 1xne h LYS 20 Ca 0.00 -0.04 -0.55 0.00 -2.18 0.00 0.00 60.65 57.88 1xne h LYS 20 Cb 0.00 -0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.46 1xne h LYS 20 CO 0.00 0.37 1.01 0.21 -1.08 0.00 0.00 179.45 179.96 1xne s LYS 21 N -5.39 3.40 -0.02 3.15 2.47 -1.15 -4.53 119.74 117.67 1xne s LYS 21 Ca -0.08 0.07 -0.00 0.00 -1.56 0.00 0.00 55.97 54.40 1xne s LYS 21 Cb 0.17 -4.07 -0.01 0.00 -1.46 0.00 0.00 37.83 32.46 1xne s LYS 21 CO 0.73 -1.85 -0.02 0.54 0.16 0.00 0.00 175.35 174.91 1xne n ARG 22 N 8.78 0.04 -4.09 4.03 5.12 -1.25 -4.74 116.66 124.55 1xne n ARG 22 Ca 0.07 0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.65 1xne n ARG 22 Cb 0.49 -0.84 -0.11 0.00 -1.16 0.00 0.00 32.46 30.84 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 -2.03 4.41 -0.34 0.55 1.01 -1.26 -1.69 121.20 121.84 1xne s ILE 23 Ca -0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 1xne s ILE 23 Cb 0.01 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 1xne s ILE 23 CO 0.03 0.45 0.22 -0.70 0.00 0.00 0.00 174.94 174.94 1xne s GLU 24 N 0.58 3.29 -0.12 2.79 2.12 0.37 -4.46 118.70 123.27 1xne s GLU 24 Ca 0.01 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 1xne s GLU 24 Cb -0.13 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 1xne s GLU 24 CO 0.02 -0.51 0.01 0.08 -0.54 0.00 0.00 175.26 174.31 1xne s VAL 25 N 1.66 4.32 -0.16 3.70 1.01 -1.26 -1.34 120.40 128.32 1xne s VAL 25 Ca 0.05 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.48 1xne s VAL 25 Cb -0.18 -2.86 0.14 0.00 0.00 0.00 0.00 36.38 33.48 1xne s VAL 25 CO 0.09 0.56 1.14 -0.60 0.00 0.00 0.00 175.10 176.28 1xne s ARG 26 N -0.39 0.41 0.13 2.72 3.52 -1.22 -5.05 118.95 119.06 1xne s ARG 26 Ca 0.08 -0.09 -0.34 0.00 -0.13 0.00 0.00 55.73 55.24 1xne s ARG 26 Cb -0.12 0.19 -0.17 0.00 -1.56 0.00 0.00 34.95 33.29 1xne s ARG 26 CO 0.02 -0.17 1.08 1.33 -0.81 0.00 0.00 175.30 176.75 1xne n VAL 27 N 0.08 0.74 -1.14 7.11 0.24 -1.26 -4.08 118.33 120.03 1xne n VAL 27 Ca -0.03 -0.19 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1xne n VAL 27 Cb 0.59 -0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 32.37 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 1.42 6.77 -1.92 2.33 0.00 -1.26 -4.77 120.51 123.07 1xne n ALA 28 Ca 0.17 -2.97 -0.29 0.00 0.00 0.00 0.00 53.44 50.34 1xne n ALA 28 Cb 0.20 -3.16 0.05 0.00 0.00 0.00 0.00 19.45 16.54 1xne n ALA 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xne s TYR 29 N 2.30 3.29 -1.12 0.00 5.04 -1.26 -4.78 117.35 120.82 1xne s TYR 29 Ca 0.62 0.96 -0.22 0.00 -2.44 0.00 0.00 57.07 56.00 1xne s TYR 29 Cb 0.18 -3.04 -0.00 0.00 0.35 0.00 0.00 41.96 39.44 1xne s TYR 29 CO -0.05 -1.16 1.77 -1.25 -1.34 0.00 0.00 175.55 173.53 1xne s PRO 30 N -5.31 3.17 0.00 4.97 0.04 -1.26 -2.30 135.00 134.31 1xne s PRO 30 Ca 0.58 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.41 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 0.50 -2.97 0.00 0.94 0.04 0.00 0.00 177.00 175.51 1xne n GLN 31 N 8.57 0.00 -0.03 4.56 0.00 -1.26 -4.96 117.38 124.26 1xne n GLN 31 Ca 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 57.00 57.39 1xne n GLN 31 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.66 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 -1.04 0.35 0.16 1.69 4.77 -1.20 -4.49 117.00 117.24 1xne n LEU 32 Ca 0.00 -0.01 0.19 0.00 -0.03 0.00 0.00 56.01 56.16 1xne n LEU 32 Cb 0.00 0.11 0.79 0.00 -2.33 0.00 0.00 43.42 42.00 1xne n LEU 32 CO 0.00 0.22 1.16 0.07 -1.33 0.00 0.00 177.39 177.52 1xne h LYS 33 N 0.00 0.00 -0.06 3.23 5.09 -1.76 0.82 116.57 123.89 1xne h LYS 33 Ca -0.19 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.43 1xne h LYS 33 Cb 1.41 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.72 1xne h LYS 33 CO 0.01 0.00 -0.53 0.22 -2.09 0.00 0.00 179.45 177.05 1xne h ASP 34 N 0.00 0.18 -2.05 7.07 1.82 -1.80 -3.45 116.42 118.19 1xne h ASP 34 Ca 0.13 -0.09 -0.59 0.00 -0.39 0.00 0.00 57.03 56.09 1xne h ASP 34 Cb 0.79 -0.05 0.20 0.00 0.68 0.00 0.00 39.33 40.95 1xne h ASP 34 CO -0.00 0.68 -1.30 0.00 -1.61 0.00 0.00 179.24 177.01 1xne n ILE 35 N -3.92 0.09 -3.91 2.25 0.13 0.29 -4.98 119.36 109.30 1xne n ILE 35 Ca -0.02 -0.50 -0.09 0.00 -1.10 0.00 0.00 62.75 61.04 1xne n ILE 35 Cb 0.56 -0.03 -0.02 0.00 -0.84 0.00 0.00 39.64 39.31 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 -1.33 1.90 0.39 9.51 -2.85 -1.26 -5.01 119.74 121.10 1xne s LYS 36 Ca 0.53 -1.32 -0.26 0.00 -1.00 0.00 0.00 55.97 53.92 1xne s LYS 36 Cb -0.41 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 1xne s LYS 36 CO 0.70 -0.85 1.24 0.50 0.10 0.00 0.00 175.35 177.03 1xne s ARG 37 N -3.27 4.05 0.00 1.78 3.52 -1.26 -2.93 118.95 120.85 1xne s ARG 37 Ca 0.18 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1xne s ARG 37 Cb -0.04 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 1xne s ARG 37 CO 0.11 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1xne n GLY 38 N 0.69 3.01 2.01 8.12 0.00 -1.19 -5.02 105.19 112.80 1xne n GLY 38 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.70 -3.86 1.61 9.92 -1.15 -4.57 116.55 117.80 1xne n ASP 39 Ca 0.00 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.79 53.07 1xne n ASP 39 Cb 0.00 -0.55 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 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 -4.47 0.35 -0.03 -1.24 2.20 0.94 -1.88 119.74 115.60 1xne s LYS 40 Ca 0.40 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.89 1xne s LYS 40 Cb -0.02 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1xne s LYS 40 CO 0.29 -0.07 -0.21 0.42 -0.36 0.00 0.00 175.35 175.42 1xne s ILE 41 N -0.82 1.71 -0.28 5.43 1.01 0.34 -0.73 121.20 127.86 1xne s ILE 41 Ca -0.09 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1xne s ILE 41 Cb -0.05 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.01 1xne s ILE 41 CO 0.01 0.48 0.02 -0.63 0.00 0.00 0.00 174.94 174.82 1xne s ILE 42 N -0.37 3.42 -0.14 2.92 -1.09 0.26 0.78 121.20 126.98 1xne s ILE 42 Ca 0.05 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.31 1xne s ILE 42 Cb -0.10 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1xne s ILE 42 CO 0.00 0.08 0.69 -0.36 -1.23 0.00 0.00 174.94 174.12 1xne s PHE 43 N 1.40 3.46 -1.53 3.97 0.40 -0.34 0.12 117.98 125.46 1xne s PHE 43 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 1xne s PHE 43 Cb -0.17 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.52 1xne s PHE 43 CO -0.01 -0.08 0.00 0.09 0.70 0.00 0.00 175.22 175.92 1xne n ASN 44 N 4.60 -5.03 -3.58 1.36 4.13 0.30 -2.51 115.26 114.52 1xne n ASN 44 Ca -0.00 0.36 -0.21 0.00 1.68 0.00 0.00 54.58 56.40 1xne n ASN 44 Cb 0.50 -4.12 0.01 0.00 -1.54 0.00 0.00 39.78 34.63 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 -1.00 -5.74 0.00 6.41 9.92 -1.24 -4.77 116.55 120.12 1xne n ASP 45 Ca -0.14 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1xne n ASP 45 Cb 0.58 -3.13 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xne n LEU 46 N -2.98 0.00 -4.32 0.64 7.94 -1.05 -5.09 117.00 112.14 1xne n LEU 46 Ca -0.16 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.35 1xne n LEU 46 Cb 0.61 0.10 -0.12 0.00 0.53 0.00 0.00 43.42 44.53 1xne n LEU 46 CO 0.62 -0.10 -0.22 -0.63 -1.11 0.00 0.00 177.39 175.96 1xne s ILE 47 N -1.35 4.11 0.61 1.96 1.01 -1.09 -4.99 121.20 121.46 1xne s ILE 47 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1xne s ILE 47 Cb 0.00 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1xne s ILE 47 CO 0.00 -0.17 1.05 -2.16 0.00 0.00 0.00 174.94 173.66 1xne s PRO 48 N 1.47 3.31 -0.03 2.79 0.04 -1.26 -1.20 135.00 140.12 1xne s PRO 48 Ca 0.00 1.12 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1xne s PRO 48 Cb -0.19 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1xne s PRO 48 CO 0.04 -0.81 0.37 0.00 0.04 0.00 0.00 177.00 176.65 1xne s ALA 49 N -2.60 -0.95 0.03 8.56 0.00 0.23 -1.23 121.76 125.81 1xne s ALA 49 Ca 0.62 0.55 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1xne s ALA 49 Cb -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1xne s ALA 49 CO 0.40 -0.27 -0.14 -2.00 0.00 0.00 0.00 175.76 173.75 1xne s GLU 50 N -1.16 2.22 -0.37 0.00 2.12 -0.64 0.13 118.70 121.00 1xne s GLU 50 Ca -0.12 -0.91 -0.29 0.00 0.36 0.00 0.00 54.97 54.01 1xne s GLU 50 Cb -0.04 -2.29 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1xne s GLU 50 CO 0.05 0.56 1.18 0.08 -0.54 0.00 0.00 175.26 176.58 1xne s VAL 51 N -0.97 4.28 -0.05 3.70 1.01 -0.79 0.59 120.40 128.18 1xne s VAL 51 Ca 0.16 1.42 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 1xne s VAL 51 Cb -0.11 -4.39 -0.26 0.00 0.00 0.00 0.00 36.38 31.63 1xne s VAL 51 CO 0.07 -0.65 0.97 0.58 0.00 0.00 0.00 175.10 176.07 1xne h VAL 52 N 5.99 1.54 -1.45 2.92 2.07 -1.17 -3.14 116.25 123.01 1xne h VAL 52 Ca -0.23 -2.20 0.11 0.00 0.82 0.00 0.00 66.70 65.20 1xne h VAL 52 Cb 1.07 2.93 -0.26 0.00 -1.52 0.00 0.00 31.29 33.52 1xne h VAL 52 CO 1.06 0.61 0.61 -0.70 0.02 0.00 0.00 177.57 179.18 1xne s GLU 53 N -2.83 0.44 0.00 1.57 2.56 -1.11 -4.87 118.70 114.47 1xne s GLU 53 Ca -0.15 0.26 0.04 0.00 0.00 0.00 0.00 54.97 55.12 1xne s GLU 53 Cb 0.01 0.21 -0.03 0.00 2.00 0.00 0.00 34.13 36.32 1xne s GLU 53 CO 0.78 -0.10 -0.11 0.54 -0.56 0.00 0.00 175.26 175.81 1xne s VAL 54 N -0.55 3.32 -0.00 3.70 0.11 -1.26 0.01 120.40 125.73 1xne s VAL 54 Ca 0.02 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1xne s VAL 54 Cb -0.02 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1xne s VAL 54 CO -0.04 0.42 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.60 1xne s LYS 55 N -1.29 0.08 -0.00 1.54 3.01 0.28 -4.98 119.74 118.37 1xne s LYS 55 Ca 0.15 -0.00 0.05 0.00 -1.01 0.00 0.00 55.97 55.16 1xne s LYS 55 Cb -0.11 -0.12 -0.01 0.00 -1.01 0.00 0.00 37.83 36.58 1xne s LYS 55 CO 0.06 -0.01 -0.15 0.21 0.51 0.00 0.00 175.35 175.97 1xne s LYS 56 N 0.17 1.15 0.07 1.68 2.20 -1.26 -1.09 119.74 122.66 1xne s LYS 56 Ca -0.01 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1xne s LYS 56 Cb -0.03 -1.12 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 1xne s LYS 56 CO -0.00 0.30 0.05 0.66 -0.36 0.00 0.00 175.35 176.00 1xne n TYR 57 N 2.55 -0.11 -0.02 4.03 4.01 -1.23 -5.01 117.16 121.37 1xne n TYR 57 Ca -0.15 -0.55 -0.03 0.00 -0.16 0.00 0.00 57.90 57.01 1xne n TYR 57 Cb 0.55 0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.14 0.20 -2.78 -0.72 1.02 -1.26 -4.84 120.64 112.12 1xne n GLU 58 Ca 0.01 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.93 1xne n GLU 58 Cb 0.12 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 1xne n GLU 58 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xne s THR 59 N -1.95 4.79 -0.03 2.62 -4.23 -1.26 -4.79 115.64 110.79 1xne s THR 59 Ca -0.11 0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 1xne s THR 59 Cb 0.02 -3.75 -0.32 0.00 1.34 0.00 0.00 72.50 69.78 1xne s THR 59 CO 0.16 -0.59 0.85 -0.26 -0.54 0.00 0.00 174.62 174.25 1xne h PHE 60 N 1.07 0.73 -0.99 3.99 0.04 -1.96 -3.24 116.94 116.59 1xne h PHE 60 Ca -0.47 -0.54 0.18 0.00 2.80 0.00 0.00 57.97 59.95 1xne h PHE 60 Cb 1.19 -0.03 -0.10 0.00 2.20 0.00 0.00 35.95 39.21 1xne h PHE 60 CO 0.61 1.50 0.61 0.07 -0.60 0.00 0.00 178.31 180.50 1xne h ARG 61 N -0.09 0.71 -0.31 1.51 -0.00 -1.98 0.37 114.38 114.59 1xne h ARG 61 Ca -0.24 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.98 59.60 1xne h ARG 61 Cb 1.94 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 31.73 1xne h ARG 61 CO 0.19 0.47 -0.20 0.37 -0.00 0.00 0.00 179.97 180.80 1xne h GLN 62 N 0.73 0.59 -0.50 0.08 -0.00 -1.99 -2.23 115.11 111.80 1xne h GLN 62 Ca 0.55 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.65 58.91 1xne h GLN 62 Cb 0.90 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.31 1xne h GLN 62 CO -0.32 0.76 0.02 0.28 0.00 0.00 0.00 178.83 179.56 1xne h VAL 63 N 0.52 1.24 0.00 2.39 2.07 -0.35 0.17 116.25 122.29 1xne h VAL 63 Ca 0.08 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1xne h VAL 63 Cb 0.64 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xne h VAL 63 CO 0.05 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.17 1xne n LEU 64 N -4.22 0.00 -0.07 2.57 4.32 -0.34 0.06 117.00 119.33 1xne n LEU 64 Ca 0.03 0.33 -0.21 0.00 -0.02 0.00 0.00 56.01 56.14 1xne n LEU 64 Cb 0.30 -0.33 -0.13 0.00 -1.62 0.00 0.00 43.42 41.64 1xne n LEU 64 CO 0.42 -0.06 -1.00 0.54 -1.22 0.00 0.00 177.39 176.06 1xne n ARG 65 N -1.33 0.68 -0.05 3.23 5.12 -0.13 -4.56 116.66 119.62 1xne n ARG 65 Ca 0.10 0.27 -0.19 0.00 -1.93 0.00 0.00 57.85 56.11 1xne n ARG 65 Cb 0.22 -1.63 -0.13 0.00 -1.16 0.00 0.00 32.46 29.75 1xne n ARG 65 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1xne h GLU 66 N -0.22 0.10 -6.22 5.56 4.81 -0.99 -3.46 114.58 114.16 1xne h GLU 66 Ca -0.49 -0.17 -0.57 0.00 -0.13 0.00 0.00 59.36 58.00 1xne h GLU 66 Cb 1.84 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.25 1xne h GLU 66 CO -0.06 1.08 -0.19 -1.21 -0.73 0.00 0.00 179.01 177.90 1xne s GLU 67 N -2.35 3.81 0.98 1.92 8.01 0.11 -5.09 118.70 126.09 1xne s GLU 67 Ca -0.21 0.25 -0.15 0.00 0.01 0.00 0.00 54.97 54.87 1xne s GLU 67 Cb 0.02 -2.92 0.18 0.00 -4.31 0.00 0.00 34.13 27.11 1xne s GLU 67 CO 0.70 0.50 1.17 -1.25 0.01 0.00 0.00 175.26 176.39 1xne s PRO 68 N -2.12 0.54 -0.08 0.39 0.04 -1.26 -4.27 135.00 128.25 1xne s PRO 68 Ca 0.37 0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1xne s PRO 68 Cb -0.14 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1xne s PRO 68 CO 0.19 -2.56 -0.01 -0.89 0.04 0.00 0.00 177.00 173.78 1xne n ILE 69 N -3.97 0.52 -0.12 0.56 5.41 -1.26 -4.13 119.36 116.37 1xne n ILE 69 Ca 0.10 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.49 1xne n ILE 69 Cb 0.59 -0.81 -0.00 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.44 -0.00 4.38 2.03 -1.94 1.13 116.42 122.46 1xne h ASP 70 Ca -0.20 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1xne h ASP 70 Cb 1.42 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1xne h ASP 70 CO -0.00 0.32 -0.00 0.11 -1.03 0.00 0.00 179.24 178.64 1xne h LYS 71 N 0.52 0.00 0.18 4.15 1.79 -1.81 -3.18 116.57 118.22 1xne h LYS 71 Ca 0.14 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1xne h LYS 71 Cb -0.06 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1xne h LYS 71 CO -0.03 0.32 -0.23 0.82 -1.08 0.00 0.00 179.45 179.24 1xne h ILE 72 N -0.31 0.49 -3.30 1.86 2.04 -1.65 -3.33 117.51 113.31 1xne h ILE 72 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.25 1xne h ILE 72 Cb 0.32 0.49 -0.34 0.00 -0.74 0.00 0.00 36.82 36.55 1xne h ILE 72 CO 0.00 0.00 -0.85 -0.36 0.00 0.00 0.00 178.15 176.94 1xne s PHE 73 N -6.08 2.17 -0.27 1.37 0.08 0.39 -4.89 117.98 110.74 1xne s PHE 73 Ca -0.16 -0.98 0.28 0.00 0.12 0.00 0.00 56.93 56.19 1xne s PHE 73 Cb 0.07 -1.51 0.88 0.00 -0.57 0.00 0.00 43.02 41.89 1xne s PHE 73 CO 0.65 -0.46 1.79 -1.00 -0.10 0.00 0.00 175.22 176.10 1xne h PRO 74 N 7.16 0.00 0.00 0.24 0.13 -1.78 -2.66 132.00 135.09 1xne h PRO 74 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xne h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xne h PRO 74 CO 0.50 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1xne n ASP 75 N -2.88 0.00 -3.67 1.44 9.92 -1.26 -4.90 116.55 115.20 1xne n ASP 75 Ca 0.03 0.46 -0.27 0.00 -0.53 0.00 0.00 54.79 54.47 1xne n ASP 75 Cb 0.39 -0.48 0.02 0.00 -0.64 0.00 0.00 41.12 40.41 1xne n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xne n LYS 76 N -1.48 -1.17 -1.12 -1.24 5.02 -1.00 -4.96 118.16 112.22 1xne n LYS 76 Ca 0.04 0.64 -0.22 0.00 -2.02 0.00 0.00 58.31 56.75 1xne n LYS 76 Cb 0.19 -3.63 0.17 0.00 -0.02 0.00 0.00 35.03 31.74 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 -3.51 -1.78 -3.97 1.97 -0.04 -1.26 -5.05 135.00 121.35 1xne n PRO 77 Ca -0.14 -1.44 -0.28 0.00 -0.04 0.00 0.00 63.50 61.60 1xne n PRO 77 Cb 0.60 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 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 -4.21 6.11 0.31 3.54 0.01 -1.26 -4.87 113.70 113.33 1xne s SER 78 Ca 0.55 0.12 0.08 0.00 1.31 0.00 0.00 55.95 58.02 1xne s SER 78 Cb -0.03 -1.79 0.87 0.00 0.21 0.00 0.00 66.02 65.28 1xne s SER 78 CO 0.40 0.10 1.68 0.15 0.41 0.00 0.00 173.24 175.98 1xne h PHE 79 N 2.54 0.77 -0.03 2.43 3.04 -1.98 1.29 116.94 124.99 1xne h PHE 79 Ca -0.47 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.38 1xne h PHE 79 Cb 1.18 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 39.52 1xne h PHE 79 CO 0.57 -0.09 -0.50 1.49 -2.02 0.00 0.00 178.31 177.75 1xne h GLU 80 N 0.38 0.39 0.19 1.11 4.57 -1.99 -2.92 114.58 116.31 1xne h GLU 80 Ca 0.63 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1xne h GLU 80 Cb 1.30 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1xne h GLU 80 CO -0.56 1.05 -0.14 -0.22 -1.18 0.00 0.00 179.01 177.95 1xne h LYS 81 N -0.13 -0.32 -0.96 1.92 3.64 -1.18 0.46 116.57 120.00 1xne h LYS 81 Ca -0.06 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.57 1xne h LYS 81 Cb 1.20 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 1xne h LYS 81 CO 0.10 -0.22 0.52 0.00 -2.27 0.00 0.00 179.45 177.58 1xne h ALA 82 N 0.45 1.62 -0.31 5.00 0.00 0.14 0.83 119.26 126.99 1xne h ALA 82 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1xne h ALA 82 Cb 0.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xne h ALA 82 CO 0.00 -0.25 -0.49 1.25 0.00 0.00 0.00 179.25 179.75 1xne h LEU 83 N 0.55 0.98 0.88 0.00 6.46 -1.12 -0.49 115.31 122.56 1xne h LEU 83 Ca 0.59 -0.51 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1xne h LEU 83 Cb 1.09 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1xne h LEU 83 CO -0.47 1.30 -0.42 0.50 -0.62 0.00 0.00 178.44 178.73 1xne h LYS 84 N 0.68 -1.14 -0.39 1.25 3.64 0.47 -3.04 116.57 118.05 1xne h LYS 84 Ca 0.03 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1xne h LYS 84 Cb 1.10 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 1xne h LYS 84 CO 0.11 -0.76 0.02 0.00 -2.27 0.00 0.00 179.45 176.56 1xne h ARG 85 N -1.22 0.13 -6.41 1.90 2.47 0.33 -3.36 114.38 108.23 1xne h ARG 85 Ca -0.12 -0.01 -0.63 0.00 -1.26 0.00 0.00 59.98 57.97 1xne h ARG 85 Cb 0.91 -0.03 0.09 0.00 -1.65 0.00 0.00 29.97 29.29 1xne h ARG 85 CO 0.20 0.08 0.27 1.19 0.56 0.00 0.00 179.97 182.27 1xne n PHE 86 N -5.17 1.40 0.00 3.04 3.72 -0.19 -1.23 117.46 119.02 1xne n PHE 86 Ca 0.02 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1xne n PHE 86 Cb 0.20 -2.29 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 1xne n PHE 86 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1xne n HIS 87 N 1.13 0.00 -0.13 1.38 1.44 -1.26 -4.91 115.22 112.86 1xne n HIS 87 Ca 0.13 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.77 1xne n HIS 87 Cb 0.28 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.46 1xne n HIS 87 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1xne n ASN 88 N 2.86 -2.10 0.00 4.39 2.85 -0.37 -2.79 115.26 120.10 1xne n ASN 88 Ca 0.00 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1xne n ASN 88 Cb 0.00 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 40.73 1xne n ASN 88 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1xne n MET 89 N -1.93 0.00 -3.78 1.20 2.81 -1.26 -4.10 117.12 110.05 1xne n MET 89 Ca 0.03 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.64 1xne n MET 89 Cb 0.14 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.54 1xne n MET 89 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1xne n TYR 90 N 0.00 3.38 0.09 2.03 4.11 -1.23 -4.92 117.16 120.61 1xne n TYR 90 Ca 0.00 -4.28 -0.05 0.00 -0.00 0.00 0.00 57.90 53.57 1xne n TYR 90 Cb 0.00 -0.62 -0.02 0.00 -0.00 0.00 0.00 39.34 38.70 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1xne h PRO 91 N 5.08 -0.30 0.00 -3.48 0.13 -1.67 -3.47 132.00 128.29 1xne h PRO 91 Ca 0.16 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xne h PRO 91 Cb 0.73 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xne h PRO 91 CO 0.75 -0.20 0.00 1.17 -0.23 0.00 0.00 178.00 179.49 1xne n LYS 92 N -4.77 0.00 -2.84 0.86 0.00 -1.26 -4.89 118.16 105.26 1xne n LYS 92 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.07 1xne n LYS 92 Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.18 1xne n LYS 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1xne s TRP 93 N 0.00 2.91 0.85 5.64 0.52 -1.26 -5.04 118.94 122.56 1xne s TRP 93 Ca 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 56.10 55.86 1xne s TRP 93 Cb 0.00 -2.55 -0.11 0.00 -1.15 0.00 0.00 33.47 29.66 1xne s TRP 93 CO 0.00 -0.63 -0.29 1.17 0.02 0.00 0.00 176.95 177.21 1xne n LYS 94 N -2.13 0.00 -1.49 4.98 4.81 -1.26 -4.58 118.16 118.49 1xne n LYS 94 Ca 0.07 0.01 -0.45 0.00 -0.87 0.00 0.00 58.31 57.07 1xne n LYS 94 Cb 0.59 -1.25 -0.07 0.00 0.02 0.00 0.00 35.03 34.33 1xne n LYS 94 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xne n GLU 95 N 1.21 1.01 -3.15 1.64 1.02 -1.26 -4.83 120.64 116.28 1xne n GLU 95 Ca 0.03 0.20 0.05 0.00 -0.02 0.00 0.00 57.16 57.42 1xne n GLU 95 Cb 0.53 -2.65 -0.00 0.00 -0.02 0.00 0.00 31.44 29.30 1xne n GLU 95 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1xne s TYR 96 N 8.85 -1.05 0.56 -0.32 5.04 -1.26 -5.15 117.35 124.02 1xne s TYR 96 Ca 1.10 0.67 -0.19 0.00 -2.44 0.00 0.00 57.07 56.20 1xne s TYR 96 Cb -0.69 0.20 -0.07 0.00 0.35 0.00 0.00 41.96 41.75 1xne s TYR 96 CO 0.42 -0.61 0.81 2.89 -1.34 0.00 0.00 175.55 177.72 1xne n ARG 97 N 5.27 0.81 -3.60 4.97 1.85 -1.26 -5.00 116.66 119.68 1xne n ARG 97 Ca 0.06 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 1xne n ARG 97 Cb 0.56 -1.97 -0.06 0.00 -1.05 0.00 0.00 32.46 29.93 1xne n ARG 97 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1xne s TYR 98 N -1.55 -0.32 0.00 2.89 1.13 -1.26 -5.12 117.35 113.12 1xne s TYR 98 Ca 0.72 0.62 0.00 0.00 -1.41 0.00 0.00 57.07 56.99 1xne s TYR 98 Cb -0.45 0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1xne s TYR 98 CO 0.51 -0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.80 1xne n GLY 99 N 3.55 3.53 2.81 5.49 0.00 -1.26 -4.75 105.19 114.56 1xne n GLY 99 Ca -0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1xne n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xne s VAL 100 N 0.00 -0.64 -0.15 1.61 0.11 -1.26 -4.81 120.40 115.26 1xne s VAL 100 Ca 0.00 -1.04 -0.05 0.00 -2.93 0.00 0.00 61.98 57.96 1xne s VAL 100 Cb 0.00 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.58 1xne s VAL 100 CO 0.00 -0.33 0.31 -0.22 -3.33 0.00 0.00 175.10 171.53 1xne s LEU 101 N 1.08 -0.39 -0.38 2.54 1.98 -1.26 -3.57 118.68 118.69 1xne s LEU 101 Ca 0.24 0.71 -0.09 0.00 -2.89 0.00 0.00 54.13 52.11 1xne s LEU 101 Cb -0.04 0.90 0.05 0.00 0.66 0.00 0.00 46.19 47.76 1xne s LEU 101 CO -0.07 -0.24 0.19 0.00 -1.89 0.00 0.00 176.35 174.35 1xne s ALA 102 N 2.44 3.21 -0.16 5.97 0.00 -0.25 -3.45 121.76 129.53 1xne s ALA 102 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 51.96 50.01 1xne s ALA 102 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1xne s ALA 102 CO -0.10 -1.47 0.05 0.42 0.00 0.00 0.00 175.76 174.67 1xne s ILE 103 N 1.46 4.73 -0.15 0.00 1.01 -0.45 -0.56 121.20 127.24 1xne s ILE 103 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1xne s ILE 103 Cb -0.21 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1xne s ILE 103 CO 0.04 0.51 -0.05 -0.75 0.00 0.00 0.00 174.94 174.69 1xne s LYS 104 N -0.03 3.63 0.01 2.79 2.20 0.10 0.14 119.74 128.57 1xne s LYS 104 Ca 0.06 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 1xne s LYS 104 Cb -0.12 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1xne s LYS 104 CO 0.01 0.26 0.16 -0.59 -0.36 0.00 0.00 175.35 174.83 1xne s PHE 105 N 0.32 0.03 -0.23 4.03 -0.12 -0.68 -0.60 117.98 120.72 1xne s PHE 105 Ca -0.04 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1xne s PHE 105 Cb -0.14 -0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.26 1xne s PHE 105 CO 0.03 -0.32 -0.11 -0.98 -0.05 0.00 0.00 175.22 173.79 1xne s ARG 106 N -1.61 2.15 -0.11 1.99 1.70 0.20 -4.65 118.95 118.63 1xne s ARG 106 Ca -0.13 -1.05 -0.33 0.00 -0.47 0.00 0.00 55.73 53.75 1xne s ARG 106 Cb -0.06 -2.64 -0.11 0.00 -0.57 0.00 0.00 34.95 31.57 1xne s ARG 106 CO 0.01 -0.48 1.95 1.55 -1.08 0.00 0.00 175.30 177.25 1xne n VAL 107 N 4.58 0.56 -2.50 4.99 3.14 -1.26 -1.62 118.33 126.22 1xne n VAL 107 Ca -0.15 -0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 60.65 1xne n VAL 107 Cb 0.45 -1.98 -0.02 0.00 -1.06 0.00 0.00 33.84 31.22 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 4.81 4.23 0.00 6.55 1.43 -0.37 -4.33 118.68 131.00 1xne s LEU 108 Ca 0.95 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 1xne s LEU 108 Cb -0.64 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1xne s LEU 108 CO 0.49 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1xne n GLY 109 N 3.39 0.95 3.25 -3.19 0.00 -1.26 -4.52 105.19 103.81 1xne n GLY 109 Ca 0.12 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.53 -0.62 1.61 3.00 -1.26 -4.90 116.66 113.96 1xne n ARG 110 Ca 0.00 -0.13 -0.29 0.00 -0.00 0.00 0.00 57.85 57.43 1xne n ARG 110 Cb 0.00 -1.55 0.17 0.00 0.00 0.00 0.00 32.46 31.08 1xne n ARG 110 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1xne n ASP 111 N 0.08 -2.62 -4.85 6.15 2.03 -1.26 -5.03 116.55 111.05 1xne n ASP 111 Ca 0.02 -0.23 -0.29 0.00 0.52 0.00 0.00 54.79 54.82 1xne n ASP 111 Cb 0.59 -0.89 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1xne n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1xne s LYS 112 N -3.48 2.23 0.00 -0.67 3.01 -1.26 -5.05 119.74 114.52 1xne s LYS 112 Ca 0.51 -2.18 0.00 0.00 -1.01 0.00 0.00 55.97 53.29 1xne s LYS 112 Cb -0.10 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.86 1xne s LYS 112 CO 0.58 -0.52 0.48 -1.91 0.51 0.00 0.00 175.35 174.49