#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 3.67 -0.10 2.12 1.02 -1.26 -4.78 119.74 120.40 1xne s LYS 2 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.10 1xne s LYS 2 Cb 0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1xne s LYS 2 CO 0.00 0.16 -0.11 0.08 -0.92 0.00 0.00 175.35 174.56 1xne s VAL 3 N -2.14 3.28 -0.20 3.17 1.01 -1.25 0.14 120.40 124.42 1xne s VAL 3 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1xne s VAL 3 Cb -0.11 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1xne s VAL 3 CO 0.30 0.55 -0.06 -0.31 0.00 0.00 0.00 175.10 175.58 1xne s TYR 4 N -0.13 2.10 -0.53 5.22 1.51 -0.16 -4.98 117.35 120.38 1xne s TYR 4 Ca -0.00 -1.43 -0.24 0.00 -1.01 0.00 0.00 57.07 54.39 1xne s TYR 4 Cb -0.13 -1.48 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1xne s TYR 4 CO 0.03 -0.70 0.89 1.03 -1.11 0.00 0.00 175.55 175.69 1xne s ARG 5 N 1.50 3.33 -0.22 -0.62 0.52 -1.26 0.18 118.95 122.39 1xne s ARG 5 Ca -0.02 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 54.84 1xne s ARG 5 Cb -0.17 -4.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 1xne s ARG 5 CO -0.07 -1.40 0.06 -0.51 0.02 0.00 0.00 175.30 173.40 1xne s LEU 6 N 3.71 3.56 -0.30 2.53 1.43 0.47 -4.93 118.68 125.15 1xne s LEU 6 Ca 0.29 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 1xne s LEU 6 Cb -0.13 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1xne s LEU 6 CO 0.19 0.05 0.90 -0.31 0.23 0.00 0.00 176.35 177.41 1xne s TYR 7 N 1.09 3.20 0.33 0.29 2.02 -1.26 0.79 117.35 123.81 1xne s TYR 7 Ca 0.04 0.99 0.08 0.00 -0.37 0.00 0.00 57.07 57.81 1xne s TYR 7 Cb -0.14 -3.37 -0.06 0.00 -0.40 0.00 0.00 41.96 37.98 1xne s TYR 7 CO 0.03 -0.62 -0.06 -0.51 -1.57 0.00 0.00 175.55 172.81 1xne s LEU 8 N 3.19 2.63 0.19 -1.29 1.02 -1.26 -4.86 118.68 118.31 1xne s LEU 8 Ca 0.37 -1.22 -0.15 0.00 0.02 0.00 0.00 54.13 53.16 1xne s LEU 8 Cb -0.14 -0.84 -0.07 0.00 0.02 0.00 0.00 46.19 45.16 1xne s LEU 8 CO 0.13 -0.29 0.60 -0.54 0.02 0.00 0.00 176.35 176.27 1xne s LYS 9 N -3.67 4.01 0.40 1.70 -0.14 -1.26 -4.70 119.74 116.07 1xne s LYS 9 Ca 0.32 0.55 0.19 0.00 -1.36 0.00 0.00 55.97 55.67 1xne s LYS 9 Cb 0.04 -2.82 1.13 0.00 -1.68 0.00 0.00 37.83 34.50 1xne s LYS 9 CO 0.15 0.40 1.75 0.22 -0.76 0.00 0.00 175.35 177.12 1xne h ASP 10 N 3.22 0.43 0.25 2.83 3.58 -2.00 1.54 116.42 126.28 1xne h ASP 10 Ca -0.48 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 1xne h ASP 10 Cb 1.19 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1xne h ASP 10 CO 0.66 0.06 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.60 1xne h GLU 11 N 0.37 -0.37 -0.06 0.28 4.39 -2.00 0.32 114.58 117.51 1xne h GLU 11 Ca 0.62 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.25 1xne h GLU 11 Cb 1.60 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1xne h GLU 11 CO -0.32 -0.25 -0.34 1.88 -1.16 0.00 0.00 179.01 178.82 1xne h TYR 12 N -0.39 0.47 -0.81 4.33 0.05 -1.00 -3.22 116.97 116.40 1xne h TYR 12 Ca -0.03 -0.21 0.12 0.00 0.05 0.00 0.00 58.73 58.67 1xne h TYR 12 Cb 0.32 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 37.90 1xne h TYR 12 CO -0.08 0.96 0.42 1.25 -1.05 0.00 0.00 178.16 179.66 1xne h LEU 13 N -0.15 0.54 -0.83 3.88 5.85 0.20 -0.37 115.31 124.43 1xne h LEU 13 Ca -0.03 0.08 0.20 0.00 0.84 0.00 0.00 57.88 58.97 1xne h LEU 13 Cb 1.00 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.88 1xne h LEU 13 CO 0.07 0.26 0.04 -0.33 -0.34 0.00 0.00 178.44 178.14 1xne h GLU 14 N 0.65 0.10 -0.68 1.25 5.08 -0.36 0.54 114.58 121.16 1xne h GLU 14 Ca 0.42 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1xne h GLU 14 Cb 0.53 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1xne h GLU 14 CO -0.32 0.06 0.45 0.52 -1.00 0.00 0.00 179.01 178.72 1xne h MET 15 N 0.10 0.88 -0.97 2.33 2.86 -1.15 -0.16 114.93 118.82 1xne h MET 15 Ca 0.48 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1xne h MET 15 Cb 0.89 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 1xne h MET 15 CO -0.73 0.59 0.62 0.28 1.06 0.00 0.00 176.91 178.72 1xne h VAL 16 N 0.91 1.26 -0.09 -2.22 2.07 0.12 0.11 116.25 118.41 1xne h VAL 16 Ca 0.25 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1xne h VAL 16 Cb -0.09 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.53 1xne h VAL 16 CO -0.06 0.26 0.04 0.11 0.02 0.00 0.00 177.57 177.94 1xne h LYS 17 N 1.33 0.14 -0.59 1.57 1.79 0.00 -2.44 116.57 118.38 1xne h LYS 17 Ca 0.35 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.82 1xne h LYS 17 Cb -0.10 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1xne h LYS 17 CO -0.07 0.25 0.39 0.66 -1.08 0.00 0.00 179.45 179.60 1xne h SER 18 N -0.00 0.61 0.00 0.86 4.64 -0.49 -3.46 113.55 115.71 1xne h SER 18 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xne h SER 18 Cb 0.16 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xne h SER 18 CO -0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 1xne n GLY 19 N -1.46 1.21 0.31 -0.77 0.00 0.31 -4.95 105.19 99.85 1xne n GLY 19 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 1.54 0.25 -6.18 1.61 1.57 -1.60 -3.37 116.57 110.39 1xne h LYS 20 Ca 0.00 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 1xne h LYS 20 Cb 0.00 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.15 1xne h LYS 20 CO 0.00 0.17 0.62 0.21 -0.57 0.00 0.00 179.45 179.88 1xne s LYS 21 N -5.26 3.65 0.00 3.15 2.36 -1.05 -4.45 119.74 118.13 1xne s LYS 21 Ca -0.07 0.33 0.00 0.00 -2.55 0.00 0.00 55.97 53.68 1xne s LYS 21 Cb 0.18 -3.89 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 1xne s LYS 21 CO 0.71 -1.15 0.00 0.54 1.55 0.00 0.00 175.35 177.00 1xne n ARG 22 N 7.10 0.00 -3.98 4.03 5.12 -1.26 -4.68 116.66 122.99 1xne n ARG 22 Ca 0.07 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.64 1xne n ARG 22 Cb 0.48 -0.51 -0.14 0.00 -1.16 0.00 0.00 32.46 31.13 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 -1.77 3.11 -0.23 0.55 1.09 -1.26 -1.68 121.20 121.01 1xne s ILE 23 Ca 0.00 -0.58 -0.02 0.00 -1.10 0.00 0.00 60.65 58.94 1xne s ILE 23 Cb 0.00 -2.40 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 1xne s ILE 23 CO 0.00 0.45 -0.07 -1.83 -0.10 0.00 0.00 174.94 173.39 1xne s GLU 24 N 1.39 3.02 0.00 2.79 -1.05 -0.68 -4.03 118.70 120.15 1xne s GLU 24 Ca 0.05 -0.85 0.08 0.00 -0.15 0.00 0.00 54.97 54.10 1xne s GLU 24 Cb -0.14 -2.95 -0.02 0.00 -0.44 0.00 0.00 34.13 30.58 1xne s GLU 24 CO -0.05 -0.32 -0.24 0.14 0.95 0.00 0.00 175.26 175.74 1xne s VAL 25 N 1.37 1.93 0.00 1.83 -7.23 -1.26 -2.69 120.40 114.36 1xne s VAL 25 Ca 0.03 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1xne s VAL 25 Cb -0.15 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1xne s VAL 25 CO -0.05 0.47 0.00 -1.14 -0.31 0.00 0.00 175.10 174.07 1xne n ARG 26 N 2.28 0.00 -4.21 4.82 0.63 -1.25 -4.99 116.66 113.93 1xne n ARG 26 Ca -0.16 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.62 1xne n ARG 26 Cb 0.52 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.34 1xne n ARG 26 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1xne s VAL 27 N -0.93 0.00 -0.13 5.15 -7.23 -1.26 -4.06 120.40 111.93 1xne s VAL 27 Ca 0.00 -1.94 0.16 0.00 -1.81 0.00 0.00 61.98 58.39 1xne s VAL 27 Cb 0.00 -2.49 0.39 0.00 0.56 0.00 0.00 36.38 34.84 1xne s VAL 27 CO 0.00 0.00 1.19 0.00 -0.31 0.00 0.00 175.10 175.98 1xne n ALA 28 N -0.43 3.08 -0.87 1.32 0.00 -1.26 -4.40 120.51 117.96 1xne n ALA 28 Ca 0.04 -2.86 -0.34 0.00 0.00 0.00 0.00 53.44 50.27 1xne n ALA 28 Cb 0.64 -0.47 0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.63 -2.78 -2.33 0.00 4.02 -1.26 -4.47 117.16 109.71 1xne n TYR 29 Ca 0.14 0.14 -0.36 0.00 -0.01 0.00 0.00 57.90 57.82 1xne n TYR 29 Cb 0.82 -1.64 -0.03 0.00 -0.02 0.00 0.00 39.34 38.47 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1xne s PRO 30 N -3.02 3.25 0.21 -0.72 0.04 -1.26 -2.87 135.00 130.62 1xne s PRO 30 Ca 0.50 -1.58 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1xne s PRO 30 Cb -0.19 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.96 1xne s PRO 30 CO 0.73 -3.11 0.00 0.94 0.04 0.00 0.00 177.00 175.60 1xne n GLN 31 N 8.35 0.00 -0.02 4.56 7.27 -1.26 -4.94 117.38 131.34 1xne n GLN 31 Ca 0.47 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.59 1xne n GLN 31 Cb 0.46 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.99 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xne n LEU 32 N -2.95 0.00 0.20 1.69 4.77 -1.24 -4.32 117.00 115.15 1xne n LEU 32 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.15 1xne n LEU 32 Cb 0.00 0.07 0.82 0.00 -2.33 0.00 0.00 43.42 41.98 1xne n LEU 32 CO 0.00 0.07 1.15 0.07 -1.33 0.00 0.00 177.39 177.35 1xne h LYS 33 N 0.00 0.00 0.00 3.23 5.09 -1.75 0.70 116.57 123.84 1xne h LYS 33 Ca -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.54 1xne h LYS 33 Cb 0.94 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.25 1xne h LYS 33 CO 0.00 0.00 -0.60 0.22 -2.09 0.00 0.00 179.45 176.98 1xne h ASP 34 N 0.00 0.00 -2.28 7.07 1.82 -1.83 -3.45 116.42 117.74 1xne h ASP 34 Ca 0.09 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.20 1xne h ASP 34 Cb 0.54 0.00 0.24 0.00 0.68 0.00 0.00 39.33 40.78 1xne h ASP 34 CO -0.00 0.60 -1.59 0.00 -1.61 0.00 0.00 179.24 176.64 1xne n ILE 35 N -3.62 0.00 -3.78 2.25 3.06 0.24 -5.00 119.36 112.52 1xne n ILE 35 Ca -0.00 -0.36 -0.03 0.00 -2.50 0.00 0.00 62.75 59.85 1xne n ILE 35 Cb 0.64 -0.19 -0.01 0.00 0.54 0.00 0.00 39.64 40.63 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 -2.48 1.24 0.41 9.51 -2.85 -1.26 -5.05 119.74 119.25 1xne s LYS 36 Ca 0.45 -0.71 -0.27 0.00 -1.00 0.00 0.00 55.97 54.44 1xne s LYS 36 Cb -0.16 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 1xne s LYS 36 CO 0.77 -0.57 1.41 0.50 0.10 0.00 0.00 175.35 177.55 1xne s ARG 37 N -3.09 3.95 0.00 1.78 3.52 -1.26 -2.70 118.95 121.14 1xne s ARG 37 Ca 0.14 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1xne s ARG 37 Cb -0.02 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1xne s ARG 37 CO 0.03 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1xne n GLY 38 N 0.58 2.62 3.95 8.12 0.00 -1.25 -5.04 105.19 114.18 1xne n GLY 38 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.45 3.04 0.04 1.61 1.11 -1.10 -4.24 116.67 116.69 1xne s ASP 39 Ca 0.00 0.03 0.03 0.00 0.18 0.00 0.00 52.55 52.79 1xne s ASP 39 Cb 0.00 -0.03 -0.02 0.00 1.07 0.00 0.00 42.92 43.94 1xne s ASP 39 CO 0.00 -2.76 -0.10 -0.75 1.18 0.00 0.00 175.17 172.74 1xne s LYS 40 N -5.83 0.63 0.10 8.23 2.20 0.37 -1.39 119.74 124.06 1xne s LYS 40 Ca 0.75 -0.75 0.10 0.00 -0.36 0.00 0.00 55.97 55.70 1xne s LYS 40 Cb -0.02 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 1xne s LYS 40 CO 0.52 0.11 -0.24 0.42 -0.36 0.00 0.00 175.35 175.80 1xne s ILE 41 N -1.19 2.00 -0.19 5.43 1.01 0.48 -0.99 121.20 127.76 1xne s ILE 41 Ca -0.06 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.00 1xne s ILE 41 Cb -0.09 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.64 1xne s ILE 41 CO 0.01 0.07 -0.11 -0.63 0.00 0.00 0.00 174.94 174.28 1xne s ILE 42 N -1.05 1.67 -0.19 2.92 -1.09 0.49 0.13 121.20 124.08 1xne s ILE 42 Ca 0.10 -0.98 -0.19 0.00 -2.23 0.00 0.00 60.65 57.35 1xne s ILE 42 Cb -0.10 -1.71 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1xne s ILE 42 CO 0.05 0.21 0.53 -0.36 -1.23 0.00 0.00 174.94 174.13 1xne s PHE 43 N 1.39 3.39 -1.21 3.97 0.08 -0.45 0.18 117.98 125.33 1xne s PHE 43 Ca -0.01 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1xne s PHE 43 Cb -0.16 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1xne s PHE 43 CO -0.09 -0.08 0.00 0.09 -0.10 0.00 0.00 175.22 175.04 1xne n ASN 44 N 4.70 -5.66 -3.71 1.36 4.13 0.24 -2.42 115.26 113.89 1xne n ASN 44 Ca -0.05 0.28 -0.31 0.00 1.68 0.00 0.00 54.58 56.18 1xne n ASN 44 Cb 0.50 -4.16 0.04 0.00 -1.54 0.00 0.00 39.78 34.62 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 -1.15 -4.82 0.00 6.41 8.00 -1.25 -4.76 116.55 118.98 1xne n ASP 45 Ca -0.11 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1xne n ASP 45 Cb 0.59 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -4.23 0.00 -4.37 0.64 7.94 -1.02 -5.08 117.00 110.89 1xne n LEU 46 Ca -0.11 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.39 1xne n LEU 46 Cb 0.60 0.23 -0.11 0.00 0.53 0.00 0.00 43.42 44.67 1xne n LEU 46 CO 0.68 -0.23 -0.17 -0.63 -1.11 0.00 0.00 177.39 175.93 1xne s ILE 47 N -1.48 4.52 0.55 1.96 1.01 -1.05 -4.99 121.20 121.72 1xne s ILE 47 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1xne s ILE 47 Cb 0.00 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1xne s ILE 47 CO 0.00 -0.20 1.04 -2.16 0.00 0.00 0.00 174.94 173.62 1xne s PRO 48 N 1.55 3.55 -0.04 2.79 0.04 -1.26 -1.34 135.00 140.28 1xne s PRO 48 Ca 0.02 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 1xne s PRO 48 Cb -0.19 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1xne s PRO 48 CO 0.06 -0.63 0.32 0.00 0.04 0.00 0.00 177.00 176.79 1xne s ALA 49 N -2.30 -0.80 -0.00 8.56 0.00 0.34 -2.29 121.76 125.27 1xne s ALA 49 Ca 0.64 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1xne s ALA 49 Cb -0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1xne s ALA 49 CO 0.30 -0.23 -0.07 -2.00 0.00 0.00 0.00 175.76 173.76 1xne s GLU 50 N -0.92 2.56 0.04 0.00 2.12 0.13 0.18 118.70 122.82 1xne s GLU 50 Ca -0.10 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1xne s GLU 50 Cb -0.04 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 1xne s GLU 50 CO 0.03 0.61 1.17 0.08 -0.54 0.00 0.00 175.26 176.61 1xne s VAL 51 N -0.99 4.18 -0.27 3.70 1.01 -0.49 0.11 120.40 127.66 1xne s VAL 51 Ca 0.17 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 1xne s VAL 51 Cb -0.11 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1xne s VAL 51 CO 0.07 0.11 -0.31 0.52 0.00 0.00 0.00 175.10 175.49 1xne n VAL 52 N 4.01 1.52 -3.63 2.92 0.31 -0.36 -3.74 118.33 119.36 1xne n VAL 52 Ca 0.09 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1xne n VAL 52 Cb 0.47 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1xne n VAL 52 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xne s GLU 53 N -2.51 1.52 -0.15 5.55 -6.30 -1.13 -4.87 118.70 110.81 1xne s GLU 53 Ca -0.38 -0.72 -0.10 0.00 -2.50 0.00 0.00 54.97 51.28 1xne s GLU 53 Cb 0.13 0.60 0.05 0.00 0.00 0.00 0.00 34.13 34.91 1xne s GLU 53 CO 0.52 -0.68 0.38 0.08 0.02 0.00 0.00 175.26 175.58 1xne s VAL 54 N -3.82 -0.02 0.07 3.70 1.01 -1.26 -0.48 120.40 119.59 1xne s VAL 54 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1xne s VAL 54 Cb -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1xne s VAL 54 CO -0.03 0.03 -0.06 -0.54 0.00 0.00 0.00 175.10 174.49 1xne s LYS 55 N 1.10 0.70 -0.00 2.72 -0.14 -0.96 -5.01 119.74 118.15 1xne s LYS 55 Ca -0.07 -1.13 0.07 0.00 -1.36 0.00 0.00 55.97 53.48 1xne s LYS 55 Cb -0.07 -0.17 -0.02 0.00 -1.68 0.00 0.00 37.83 35.89 1xne s LYS 55 CO -0.09 -0.01 -0.23 0.21 -0.76 0.00 0.00 175.35 174.47 1xne s LYS 56 N -3.10 1.81 0.07 1.68 2.20 -1.26 -2.69 119.74 118.45 1xne s LYS 56 Ca 0.04 -0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 54.74 1xne s LYS 56 Cb 0.01 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 1xne s LYS 56 CO -0.04 0.48 0.08 0.71 -0.36 0.00 0.00 175.35 176.23 1xne s TYR 57 N -0.59 0.36 -0.26 4.03 2.02 -0.92 -5.02 117.35 116.97 1xne s TYR 57 Ca 0.09 -0.85 0.15 0.00 -0.37 0.00 0.00 57.07 56.08 1xne s TYR 57 Cb -0.09 -0.24 -0.20 0.00 -0.40 0.00 0.00 41.96 41.03 1xne s TYR 57 CO -0.00 -0.47 0.43 -0.85 -1.57 0.00 0.00 175.55 173.09 1xne n GLU 58 N 0.02 1.12 -4.51 -0.62 0.28 -1.26 -4.46 120.64 111.21 1xne n GLU 58 Ca -0.14 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.44 1xne n GLU 58 Cb 0.62 -1.29 -0.15 0.00 1.43 0.00 0.00 31.44 32.05 1xne n GLU 58 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1xne s THR 59 N -2.78 2.55 0.12 3.84 -4.23 -1.26 -4.63 115.64 109.24 1xne s THR 59 Ca -0.01 -0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 59.48 1xne s THR 59 Cb 0.10 -2.07 -0.06 0.00 1.34 0.00 0.00 72.50 71.81 1xne s THR 59 CO 0.61 0.52 1.72 -0.26 -0.54 0.00 0.00 174.62 176.66 1xne h PHE 60 N 7.36 -0.07 -1.00 3.99 -1.00 -1.94 -1.72 116.94 122.57 1xne h PHE 60 Ca -0.33 0.01 0.20 0.00 2.81 0.00 0.00 57.97 60.66 1xne h PHE 60 Cb 1.19 0.05 -0.11 0.00 3.61 0.00 0.00 35.95 40.69 1xne h PHE 60 CO 0.50 -0.06 0.61 0.07 -1.61 0.00 0.00 178.31 177.83 1xne h ARG 61 N 0.01 0.70 -0.87 1.51 -0.00 -1.98 0.39 114.38 114.13 1xne h ARG 61 Ca 0.07 -0.04 0.07 0.00 -0.00 0.00 0.00 59.98 60.08 1xne h ARG 61 Cb 0.10 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.97 29.86 1xne h ARG 61 CO -0.14 0.46 0.57 0.37 -0.00 0.00 0.00 179.97 181.23 1xne h GLN 62 N 0.72 0.91 0.00 0.08 -0.00 -1.74 0.25 115.11 115.33 1xne h GLN 62 Ca 0.59 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 59.15 1xne h GLN 62 Cb 0.97 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.24 1xne h GLN 62 CO -0.39 0.60 -0.17 0.28 0.00 0.00 0.00 178.83 179.15 1xne h VAL 63 N 0.94 1.08 0.00 2.39 2.07 -0.05 0.27 116.25 122.95 1xne h VAL 63 Ca 0.38 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1xne h VAL 63 Cb 0.28 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1xne h VAL 63 CO -0.15 0.17 -0.54 -0.07 0.02 0.00 0.00 177.57 177.00 1xne h LEU 64 N 0.00 0.00 -0.02 2.57 4.07 -0.31 0.58 115.31 122.21 1xne h LEU 64 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1xne h LEU 64 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1xne h LEU 64 CO 0.02 0.46 -0.23 0.03 -1.08 0.00 0.00 178.44 177.64 1xne h ARG 65 N 0.00 0.19 0.05 1.13 2.47 0.73 -3.38 114.38 115.58 1xne h ARG 65 Ca -0.02 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1xne h ARG 65 Cb 1.37 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1xne h ARG 65 CO 0.06 0.88 -0.03 0.93 0.56 0.00 0.00 179.97 182.37 1xne h GLU 66 N -0.42 -0.07 -6.49 0.04 4.39 -1.10 -3.46 114.58 107.46 1xne h GLU 66 Ca -0.02 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.16 1xne h GLU 66 Cb 0.94 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1xne h GLU 66 CO 0.05 0.34 -0.12 -1.21 -1.16 0.00 0.00 179.01 176.91 1xne s GLU 67 N -2.23 3.69 1.00 2.33 0.41 0.20 -5.09 118.70 119.00 1xne s GLU 67 Ca -0.09 0.11 -0.15 0.00 -0.41 0.00 0.00 54.97 54.43 1xne s GLU 67 Cb -0.01 -2.64 0.19 0.00 -1.78 0.00 0.00 34.13 29.90 1xne s GLU 67 CO 0.33 0.23 1.18 -1.25 -0.49 0.00 0.00 175.26 175.26 1xne s PRO 68 N -3.33 0.38 -0.12 0.39 0.04 -1.26 -4.05 135.00 127.05 1xne s PRO 68 Ca 0.45 0.00 0.07 0.00 0.04 0.00 0.00 61.00 61.57 1xne s PRO 68 Cb -0.11 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1xne s PRO 68 CO 0.27 -2.65 -0.01 -0.89 0.04 0.00 0.00 177.00 173.76 1xne n ILE 69 N -4.03 0.79 0.28 0.56 5.41 -1.26 -3.87 119.36 117.24 1xne n ILE 69 Ca 0.11 -0.43 0.15 0.00 1.00 0.00 0.00 62.75 63.57 1xne n ILE 69 Cb 0.59 -0.79 0.88 0.00 -0.71 0.00 0.00 39.64 39.62 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 0.00 0.00 4.38 3.04 -1.96 0.79 116.42 122.67 1xne h ASP 70 Ca -0.31 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.36 1xne h ASP 70 Cb 1.64 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.91 1xne h ASP 70 CO -0.00 0.00 -0.73 0.11 -2.04 0.00 0.00 179.24 176.58 1xne h LYS 71 N 0.00 0.00 -0.82 4.15 1.57 -1.78 -3.31 116.57 116.38 1xne h LYS 71 Ca 0.01 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1xne h LYS 71 Cb 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 1xne h LYS 71 CO -0.00 0.72 0.47 0.82 -0.57 0.00 0.00 179.45 180.89 1xne h ILE 72 N -1.00 0.91 -3.31 1.86 2.04 -1.57 -3.37 117.51 113.07 1xne h ILE 72 Ca -0.17 -0.27 -0.34 0.00 1.00 0.00 0.00 64.86 65.08 1xne h ILE 72 Cb 0.97 0.05 -0.37 0.00 -0.74 0.00 0.00 36.82 36.73 1xne h ILE 72 CO -0.11 0.14 -0.71 -0.36 0.00 0.00 0.00 178.15 177.11 1xne s PHE 73 N -6.03 0.00 -0.14 1.37 0.08 0.27 -4.94 117.98 108.60 1xne s PHE 73 Ca -0.12 0.31 0.27 0.00 0.12 0.00 0.00 56.93 57.51 1xne s PHE 73 Cb 0.19 -0.37 0.82 0.00 -0.57 0.00 0.00 43.02 43.09 1xne s PHE 73 CO 0.78 -0.18 1.78 -1.00 -0.10 0.00 0.00 175.22 176.50 1xne h PRO 74 N 8.14 0.00 0.00 0.24 0.13 -1.77 -2.88 132.00 135.86 1xne h PRO 74 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1xne h PRO 74 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xne h PRO 74 CO 0.23 0.05 0.00 -0.44 -0.23 0.00 0.00 178.00 177.61 1xne h ASP 75 N 0.00 0.00 -5.06 1.44 5.19 -1.90 -3.46 116.42 112.62 1xne h ASP 75 Ca -0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1xne h ASP 75 Cb 0.79 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.39 1xne h ASP 75 CO 0.01 0.00 -0.41 0.29 -3.12 0.00 0.00 179.24 176.00 1xne n LYS 76 N -3.05 -1.57 -1.53 3.56 5.02 -1.09 -5.01 118.16 114.49 1xne n LYS 76 Ca -0.03 1.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.99 1xne n LYS 76 Cb 0.09 -5.18 0.16 0.00 -0.02 0.00 0.00 35.03 30.08 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 -3.67 0.63 0.13 1.97 0.04 -1.26 -5.07 135.00 127.77 1xne s PRO 77 Ca 0.22 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.38 1xne s PRO 77 Cb -0.03 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1xne s PRO 77 CO 0.64 -2.51 0.24 -1.12 0.04 0.00 0.00 177.00 174.29 1xne s SER 78 N -4.17 6.22 0.32 6.66 0.01 -1.26 -4.86 113.70 116.62 1xne s SER 78 Ca 0.67 0.15 0.10 0.00 1.31 0.00 0.00 55.95 58.18 1xne s SER 78 Cb -0.12 -1.85 0.93 0.00 0.21 0.00 0.00 66.02 65.19 1xne s SER 78 CO 0.54 0.08 1.70 0.15 0.41 0.00 0.00 173.24 176.12 1xne h PHE 79 N 2.42 0.90 -0.03 2.43 3.57 -1.98 1.45 116.94 125.70 1xne h PHE 79 Ca -0.48 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 60.92 1xne h PHE 79 Cb 1.19 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.69 1xne h PHE 79 CO 0.56 -0.05 -0.55 1.49 -2.23 0.00 0.00 178.31 177.52 1xne h GLU 80 N 0.45 0.43 -0.07 1.11 4.22 -1.99 -2.78 114.58 115.94 1xne h GLU 80 Ca 0.66 -0.42 -0.00 0.00 0.08 0.00 0.00 59.36 59.68 1xne h GLU 80 Cb 1.36 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1xne h GLU 80 CO -0.54 1.07 0.04 -0.22 -2.18 0.00 0.00 179.01 177.19 1xne h LYS 81 N -0.05 0.10 -0.79 1.92 3.64 -1.09 -0.81 116.57 119.48 1xne h LYS 81 Ca -0.06 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1xne h LYS 81 Cb 1.24 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1xne h LYS 81 CO 0.11 0.11 0.53 0.00 -2.27 0.00 0.00 179.45 177.93 1xne h ALA 82 N 0.98 2.10 -0.04 5.00 0.00 0.18 1.41 119.26 128.90 1xne h ALA 82 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xne h ALA 82 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xne h ALA 82 CO -0.00 -0.32 -0.00 1.25 0.00 0.00 0.00 179.25 180.17 1xne h LEU 83 N 0.44 0.07 0.16 0.00 6.46 -0.99 -1.81 115.31 119.63 1xne h LEU 83 Ca 0.39 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1xne h LEU 83 Cb 0.89 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1xne h LEU 83 CO -0.14 0.39 -0.08 0.50 -0.62 0.00 0.00 178.44 178.49 1xne h LYS 84 N -0.26 -0.21 -0.88 1.25 3.64 0.37 -3.03 116.57 117.46 1xne h LYS 84 Ca 0.01 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.64 1xne h LYS 84 Cb 0.35 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.07 1xne h LYS 84 CO 0.00 0.10 0.12 0.00 -2.27 0.00 0.00 179.45 177.40 1xne h ARG 85 N -0.54 0.11 -1.98 1.90 2.47 0.18 0.31 114.38 116.83 1xne h ARG 85 Ca -0.02 -0.01 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1xne h ARG 85 Cb 0.41 -0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.60 1xne h ARG 85 CO 0.04 0.07 -0.09 1.19 0.56 0.00 0.00 179.97 181.74 1xne n PHE 86 N -5.34 0.55 0.07 3.04 3.72 -0.68 -3.55 117.46 115.27 1xne n PHE 86 Ca 0.20 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 1xne n PHE 86 Cb 0.66 -1.44 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 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 1.85 -2.62 -0.34 1.38 -0.00 0.78 -4.94 115.22 111.34 1xne n HIS 87 Ca 0.42 0.47 0.12 0.00 0.46 0.00 0.00 57.72 59.18 1xne n HIS 87 Cb 0.77 1.42 0.30 0.00 -0.12 0.00 0.00 29.99 32.35 1xne n HIS 87 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1xne h ASN 88 N 0.00 0.70 -0.35 0.26 -0.73 -0.79 -1.88 115.58 112.79 1xne h ASN 88 Ca 0.00 0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.31 1xne h ASN 88 Cb 0.00 -0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.50 1xne h ASN 88 CO 0.00 0.24 -0.49 0.24 -0.37 0.00 0.00 177.43 177.06 1xne h MET 89 N 0.71 -0.34 -4.51 6.67 2.86 -1.79 -3.43 114.93 115.11 1xne h MET 89 Ca 0.56 0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.93 1xne h MET 89 Cb 0.86 0.08 -0.23 0.00 0.06 0.00 0.00 31.60 32.37 1xne h MET 89 CO -0.39 -0.23 -0.74 1.52 1.06 0.00 0.00 176.91 178.13 1xne s TYR 90 N -5.31 0.63 0.06 -0.22 1.13 -0.70 -5.13 117.35 107.80 1xne s TYR 90 Ca -0.13 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 54.83 1xne s TYR 90 Cb 0.07 -0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.50 1xne s TYR 90 CO 0.54 -0.07 1.17 -1.25 -2.51 0.00 0.00 175.55 173.43 1xne s PRO 91 N -1.24 4.45 -0.45 -3.49 0.04 -1.26 -4.60 135.00 128.45 1xne s PRO 91 Ca -0.07 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1xne s PRO 91 Cb -0.08 -3.36 0.22 0.00 0.04 0.00 0.00 34.50 31.32 1xne s PRO 91 CO 0.00 -0.22 0.51 1.17 0.04 0.00 0.00 177.00 178.50 1xne n LYS 92 N 3.86 0.91 -2.84 4.56 4.81 -1.26 -5.03 118.16 123.16 1xne n LYS 92 Ca 0.08 -3.50 -0.44 0.00 -0.87 0.00 0.00 58.31 53.59 1xne n LYS 92 Cb 0.47 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 33.96 1xne n LYS 92 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1xne s TRP 93 N -1.07 3.19 0.19 5.64 -0.00 -1.26 -4.20 118.94 121.44 1xne s TRP 93 Ca 0.35 -1.75 0.00 0.00 -0.00 0.00 0.00 56.10 54.70 1xne s TRP 93 Cb 0.12 -4.42 0.00 0.00 -0.00 0.00 0.00 33.47 29.17 1xne s TRP 93 CO -0.12 -1.54 0.00 1.63 -0.00 0.00 0.00 176.95 176.92 1xne n LYS 94 N 6.65 0.00 -2.62 5.86 5.02 -1.26 -5.11 118.16 126.69 1xne n LYS 94 Ca 0.35 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.59 1xne n LYS 94 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.47 1xne n LYS 94 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xne n GLU 95 N -3.00 -2.26 -3.85 1.97 1.02 -1.26 -5.06 120.64 108.19 1xne n GLU 95 Ca 0.00 2.02 -0.01 0.00 -0.02 0.00 0.00 57.16 59.15 1xne n GLU 95 Cb 0.00 -4.99 0.01 0.00 -0.02 0.00 0.00 31.44 26.44 1xne n GLU 95 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1xne s TYR 96 N -2.14 0.02 -0.18 -0.32 2.02 -1.26 -5.11 117.35 110.38 1xne s TYR 96 Ca 0.16 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.27 1xne s TYR 96 Cb -0.05 0.64 -0.06 0.00 -0.40 0.00 0.00 41.96 42.09 1xne s TYR 96 CO 0.66 -0.68 2.18 0.54 -1.57 0.00 0.00 175.55 176.67 1xne n ARG 97 N -0.68 2.07 -3.51 -0.62 1.74 -1.26 -4.90 116.66 109.49 1xne n ARG 97 Ca -0.03 0.61 -0.10 0.00 -0.77 0.00 0.00 57.85 57.56 1xne n ARG 97 Cb 0.60 -3.16 -0.03 0.00 -1.02 0.00 0.00 32.46 28.85 1xne n ARG 97 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1xne s TYR 98 N 7.60 -0.40 0.00 -1.55 5.04 -1.26 -5.13 117.35 121.65 1xne s TYR 98 Ca 0.99 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1xne s TYR 98 Cb -0.38 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1xne s TYR 98 CO 0.37 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1xne n GLY 99 N 0.07 1.20 3.20 8.97 0.00 -1.26 -4.86 105.19 112.52 1xne n GLY 99 Ca -0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1xne n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xne n VAL 100 N 0.00 -7.72 -3.93 1.61 0.31 -1.26 -4.62 118.33 102.72 1xne n VAL 100 Ca 0.00 -1.01 -0.35 0.00 -0.01 0.00 0.00 64.34 62.97 1xne n VAL 100 Cb 0.00 -5.85 -0.14 0.00 -0.91 0.00 0.00 33.84 26.94 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1xne s LEU 101 N -5.56 3.06 -0.47 7.52 1.98 -1.26 -2.16 118.68 121.80 1xne s LEU 101 Ca 0.29 -0.65 -0.16 0.00 -2.89 0.00 0.00 54.13 50.72 1xne s LEU 101 Cb -0.04 -1.70 0.07 0.00 0.66 0.00 0.00 46.19 45.18 1xne s LEU 101 CO 0.70 -0.08 0.41 0.00 -1.89 0.00 0.00 176.35 175.49 1xne s ALA 102 N 1.40 3.54 -0.24 5.97 0.00 -1.10 -3.80 121.76 127.53 1xne s ALA 102 Ca 0.03 -2.04 -0.09 0.00 0.00 0.00 0.00 51.96 49.86 1xne s ALA 102 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1xne s ALA 102 CO -0.04 -1.73 0.13 0.42 0.00 0.00 0.00 175.76 174.54 1xne s ILE 103 N 1.75 5.01 -0.20 0.00 1.01 -1.09 -2.27 121.20 125.41 1xne s ILE 103 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 1xne s ILE 103 Cb -0.23 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1xne s ILE 103 CO 0.08 0.34 0.09 -0.54 0.00 0.00 0.00 174.94 174.91 1xne s LYS 104 N 1.21 4.01 0.02 2.79 1.02 0.36 -1.69 119.74 127.47 1xne s LYS 104 Ca 0.06 -0.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.69 1xne s LYS 104 Cb -0.14 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1xne s LYS 104 CO 0.05 0.23 0.08 -0.59 -0.92 0.00 0.00 175.35 174.20 1xne s PHE 105 N 0.51 0.16 -0.11 3.18 -0.12 -0.68 -1.22 117.98 119.71 1xne s PHE 105 Ca 0.05 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1xne s PHE 105 Cb -0.12 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.15 1xne s PHE 105 CO 0.00 -0.30 -0.18 1.03 -0.05 0.00 0.00 175.22 175.73 1xne s ARG 106 N -1.92 2.49 0.08 1.99 0.52 0.31 -4.65 118.95 117.78 1xne s ARG 106 Ca -0.11 -0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 54.13 1xne s ARG 106 Cb -0.05 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.30 1xne s ARG 106 CO -0.02 0.00 1.59 0.54 0.02 0.00 0.00 175.30 177.43 1xne s VAL 107 N 0.79 3.04 -0.78 3.52 0.11 -1.26 0.22 120.40 126.05 1xne s VAL 107 Ca -0.10 0.58 -0.26 0.00 -2.93 0.00 0.00 61.98 59.27 1xne s VAL 107 Cb -0.16 -3.37 0.04 0.00 -1.53 0.00 0.00 36.38 31.36 1xne s VAL 107 CO 0.01 0.01 1.27 -0.76 -3.33 0.00 0.00 175.10 172.30 1xne s LEU 108 N 2.18 3.38 0.00 2.54 1.43 -0.97 -4.29 118.68 122.95 1xne s LEU 108 Ca 0.71 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1xne s LEU 108 Cb -0.39 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1xne s LEU 108 CO 0.31 -1.73 0.00 0.61 0.23 0.00 0.00 176.35 175.77 1xne n GLY 109 N 5.60 -1.71 3.08 -3.19 0.00 -1.26 -4.78 105.19 102.93 1xne n GLY 109 Ca 0.07 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.21 -2.40 1.61 3.00 -1.26 -4.89 116.66 112.51 1xne n ARG 110 Ca 0.00 -0.06 -0.33 0.00 -0.00 0.00 0.00 57.85 57.46 1xne n ARG 110 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 1xne n ARG 110 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1xne s ASP 111 N -1.22 6.31 0.60 6.15 1.47 -1.26 -5.05 116.67 123.66 1xne s ASP 111 Ca 0.42 1.79 0.08 0.00 1.18 0.00 0.00 52.55 56.02 1xne s ASP 111 Cb -0.08 -2.54 0.09 0.00 -0.34 0.00 0.00 42.92 40.06 1xne s ASP 111 CO 0.73 -0.80 0.82 -0.54 0.68 0.00 0.00 175.17 176.06 1xne s LYS 112 N -3.66 2.21 0.00 2.11 1.02 -1.26 -5.15 119.74 115.01 1xne s LYS 112 Ca 0.64 -1.57 0.16 0.00 0.02 0.00 0.00 55.97 55.22 1xne s LYS 112 Cb -0.14 -2.60 0.98 0.00 -0.52 0.00 0.00 37.83 35.55 1xne s LYS 112 CO 0.27 -0.95 1.39 -1.91 -0.92 0.00 0.00 175.35 173.23