#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xeb s LEU 3 N 0.00 1.56 -0.38 1.04 1.43 -1.26 -4.91 118.68 116.16 1xeb s LEU 3 Ca 0.00 -1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 51.90 1xeb s LEU 3 Cb 0.00 0.54 0.05 0.00 0.03 0.00 0.00 46.19 46.82 1xeb s LEU 3 CO 0.00 -0.77 0.20 -1.81 0.23 0.00 0.00 176.35 174.20 1xeb s ASP 4 N -3.02 5.57 0.18 2.29 1.01 -0.60 -4.93 116.67 117.18 1xeb s ASP 4 Ca 0.22 -1.25 -0.17 0.00 0.71 0.00 0.00 52.55 52.06 1xeb s ASP 4 Cb 0.06 -1.96 -0.08 0.00 1.01 0.00 0.00 42.92 41.95 1xeb s ASP 4 CO 0.01 -0.43 0.63 0.26 0.21 0.00 0.00 175.17 175.85 1xeb s TRP 5 N 1.45 3.62 -0.11 4.23 0.52 -1.26 -1.55 118.94 125.84 1xeb s TRP 5 Ca 0.01 1.21 -0.09 0.00 0.02 0.00 0.00 56.10 57.25 1xeb s TRP 5 Cb -0.21 -2.48 0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1xeb s TRP 5 CO 0.04 0.38 0.30 -0.08 0.02 0.00 0.00 176.95 177.61 1xeb s THR 6 N -1.50 -0.01 -0.30 2.01 -1.32 -1.26 -5.00 115.64 108.26 1xeb s THR 6 Ca 0.40 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1xeb s THR 6 Cb -0.16 -0.43 0.09 0.00 -1.51 0.00 0.00 72.50 70.50 1xeb s THR 6 CO 0.20 0.01 0.06 0.00 -2.21 0.00 0.00 174.62 172.68 1xeb s LYS 8 N 1.41 2.14 0.43 0.00 1.02 -0.72 -4.89 119.74 119.13 1xeb s LYS 8 Ca 0.07 -1.12 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 1xeb s LYS 8 Cb -0.18 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 1xeb s LYS 8 CO -0.17 0.48 1.06 -1.58 -0.92 0.00 0.00 175.35 174.22 1xeb s HIS 9 N -1.45 3.15 0.49 3.18 5.65 -1.26 -0.40 115.29 124.66 1xeb s HIS 9 Ca 0.23 1.61 0.16 0.00 0.25 0.00 0.00 55.06 57.31 1xeb s HIS 9 Cb -0.10 -3.15 1.19 0.00 -1.18 0.00 0.00 32.58 29.34 1xeb s HIS 9 CO 0.15 -0.80 2.09 1.12 -0.65 0.00 0.00 174.74 176.65 1xeb h HIS 10 N 2.24 0.14 0.00 3.88 2.07 -1.65 -1.43 115.15 120.41 1xeb h HIS 10 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1xeb h HIS 10 Cb 1.22 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1xeb h HIS 10 CO 0.57 0.08 0.00 0.00 -3.07 0.00 0.00 177.93 175.51 1xeb n ALA 11 N -2.54 1.50 0.26 6.11 0.00 -1.26 -2.16 120.51 122.42 1xeb n ALA 11 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1xeb n ALA 11 Cb 0.20 -1.25 0.13 0.00 0.00 0.00 0.00 19.45 18.52 1xeb n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xeb n ASP 12 N -1.80 2.74 -4.76 0.00 8.00 -0.54 -5.01 116.55 115.18 1xeb n ASP 12 Ca 0.02 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.37 1xeb n ASP 12 Cb 0.15 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1xeb n ASP 12 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xeb s LEU 13 N -1.18 3.61 0.17 0.64 1.43 -0.92 -4.97 118.68 117.47 1xeb s LEU 13 Ca 0.25 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 1xeb s LEU 13 Cb 0.15 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.75 1xeb s LEU 13 CO 0.21 -1.54 0.27 0.42 0.23 0.00 0.00 176.35 175.94 1xeb s THR 14 N -1.83 5.12 0.28 5.49 -4.23 -1.26 -4.97 115.64 114.24 1xeb s THR 14 Ca 0.74 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 1xeb s THR 14 Cb -0.26 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.19 1xeb s THR 14 CO 0.34 -0.15 1.78 -0.07 -0.54 0.00 0.00 174.62 175.98 1xeb h LEU 15 N 1.98 0.72 -0.02 4.79 3.38 -2.00 -1.90 115.31 122.27 1xeb h LEU 15 Ca -0.49 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xeb h LEU 15 Cb 1.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xeb h LEU 15 CO 0.66 0.30 -0.05 0.11 0.09 0.00 0.00 178.44 179.55 1xeb h LYS 16 N 0.76 -0.08 0.02 1.13 1.57 -1.99 -2.14 116.57 115.83 1xeb h LYS 16 Ca 0.52 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1xeb h LYS 16 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1xeb h LYS 16 CO -0.35 -0.06 -0.08 0.93 -0.57 0.00 0.00 179.45 179.32 1xeb h GLU 17 N -0.09 -0.14 -0.43 3.15 5.08 -1.77 0.12 114.58 120.50 1xeb h GLU 17 Ca 0.03 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1xeb h GLU 17 Cb 0.13 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1xeb h GLU 17 CO -0.07 -0.10 0.15 1.25 -1.00 0.00 0.00 179.01 179.24 1xeb h LEU 18 N -0.15 0.15 0.05 1.33 6.46 -1.35 0.22 115.31 122.01 1xeb h LEU 18 Ca 0.03 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1xeb h LEU 18 Cb 0.18 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1xeb h LEU 18 CO -0.07 0.12 -0.02 0.22 -0.62 0.00 0.00 178.44 178.06 1xeb h TYR 19 N 0.31 -0.06 -0.17 1.25 5.03 -1.19 -1.30 116.97 120.84 1xeb h TYR 19 Ca 0.20 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.55 1xeb h TYR 19 Cb 0.19 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1xeb h TYR 19 CO -0.16 -0.04 -0.07 0.00 -1.32 0.00 0.00 178.16 176.58 1xeb h ALA 20 N 0.89 0.09 -0.11 1.82 0.00 0.30 0.12 119.26 122.37 1xeb h ALA 20 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1xeb h ALA 20 Cb 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xeb h ALA 20 CO 0.01 -0.50 -0.27 1.37 0.00 0.00 0.00 179.25 179.86 1xeb h LEU 21 N -0.04 0.19 -0.33 0.00 8.10 -0.51 -0.84 115.31 121.87 1xeb h LEU 21 Ca 0.09 -0.06 -0.18 0.00 0.11 0.00 0.00 57.88 57.84 1xeb h LEU 21 Cb 0.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 1xeb h LEU 21 CO -0.20 0.47 -0.84 -0.07 -4.11 0.00 0.00 178.44 173.68 1xeb h LEU 22 N 0.17 0.10 -0.61 0.17 3.38 -0.69 -2.35 115.31 115.49 1xeb h LEU 22 Ca 0.03 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1xeb h LEU 22 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1xeb h LEU 22 CO 0.04 0.90 -0.49 -0.61 0.09 0.00 0.00 178.44 178.37 1xeb h GLN 23 N 0.04 0.52 -0.22 1.13 4.15 -0.20 -1.23 115.11 119.30 1xeb h GLN 23 Ca -0.02 -0.30 -0.14 0.00 0.77 0.00 0.00 58.65 58.96 1xeb h GLN 23 Cb 1.47 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.19 1xeb h GLN 23 CO 0.12 0.89 -0.40 1.25 -1.93 0.00 0.00 178.83 178.76 1xeb h LEU 24 N 0.41 0.73 -0.90 -2.39 5.85 -1.14 -1.83 115.31 116.04 1xeb h LEU 24 Ca 0.02 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1xeb h LEU 24 Cb 1.01 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1xeb h LEU 24 CO 0.09 1.13 0.46 0.03 -0.34 0.00 0.00 178.44 179.81 1xeb h ARG 25 N 0.35 1.24 -0.29 1.25 3.08 -1.35 -1.95 114.38 116.72 1xeb h ARG 25 Ca 0.01 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1xeb h ARG 25 Cb 1.00 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1xeb h ARG 25 CO 0.09 0.93 -0.32 1.15 -1.07 0.00 0.00 179.97 180.75 1xeb h THR 26 N 1.24 1.30 -0.82 2.04 2.02 -1.21 0.52 112.91 118.00 1xeb h THR 26 Ca 0.31 -1.49 0.05 0.00 0.77 0.00 0.00 66.41 66.05 1xeb h THR 26 Cb 0.07 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 1xeb h THR 26 CO -0.04 0.48 0.51 -0.08 0.37 0.00 0.00 175.52 176.75 1xeb h GLU 27 N 0.47 0.91 0.00 6.66 4.81 -0.97 0.37 114.58 126.83 1xeb h GLU 27 Ca 0.04 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1xeb h GLU 27 Cb 0.89 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1xeb h GLU 27 CO 0.08 0.60 -0.58 0.28 -0.73 0.00 0.00 179.01 178.66 1xeb h VAL 28 N 0.94 0.49 -0.04 0.32 2.07 -1.30 -0.68 116.25 118.04 1xeb h VAL 28 Ca 0.35 -1.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 1xeb h VAL 28 Cb 0.13 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xeb h VAL 28 CO -0.16 0.17 -0.64 -0.26 0.02 0.00 0.00 177.57 176.70 1xeb h PHE 29 N -1.00 0.23 0.00 1.57 0.05 -0.99 -2.44 116.94 114.36 1xeb h PHE 29 Ca -0.11 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.59 1xeb h PHE 29 Cb 0.72 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.63 1xeb h PHE 29 CO -0.02 0.76 -0.61 0.28 -0.18 0.00 0.00 178.31 178.54 1xeb n VAL 30 N -3.83 1.38 0.02 -0.55 0.31 -0.22 -3.89 118.33 111.55 1xeb n VAL 30 Ca -0.02 0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1xeb n VAL 30 Cb 0.64 -2.35 -0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1xeb n VAL 30 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1xeb h VAL 31 N -0.96 0.00 0.00 2.52 2.07 -1.01 0.64 116.25 119.51 1xeb h VAL 31 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xeb h VAL 31 Cb 0.61 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1xeb h VAL 31 CO 0.00 0.00 -0.03 1.05 0.02 0.00 0.00 177.57 178.61 1xeb h GLU 32 N -0.13 0.00 -0.44 1.57 4.11 -1.20 -0.27 114.58 118.22 1xeb h GLU 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1xeb h GLU 32 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xeb h GLU 32 CO 0.01 0.03 0.00 1.04 0.07 0.00 0.00 179.01 180.16 1xeb n GLN 33 N -3.79 2.39 -4.06 1.06 6.02 -0.92 -4.97 117.38 113.12 1xeb n GLN 33 Ca -0.03 -2.13 -0.40 0.00 -0.01 0.00 0.00 57.00 54.44 1xeb n GLN 33 Cb 0.12 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.88 1xeb n GLN 33 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xeb n LYS 34 N 1.29 -0.80 -3.80 -1.09 5.02 -0.11 -4.94 118.16 113.73 1xeb n LYS 34 Ca 0.20 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.35 1xeb n LYS 34 Cb 0.55 -3.16 -0.15 0.00 -0.02 0.00 0.00 35.03 32.25 1xeb n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xeb n PRO 36 N 4.55 2.90 -4.09 0.00 -0.04 -1.26 -4.26 135.00 132.80 1xeb n PRO 36 Ca 0.01 -2.66 -0.25 0.00 -0.04 0.00 0.00 63.50 60.56 1xeb n PRO 36 Cb 0.41 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 1xeb n PRO 36 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xeb s TYR 37 N 3.01 2.41 -1.14 0.54 1.13 -1.26 -5.05 117.35 116.99 1xeb s TYR 37 Ca 0.47 -0.65 -0.19 0.00 -1.41 0.00 0.00 57.07 55.29 1xeb s TYR 37 Cb 0.14 -1.95 0.08 0.00 -1.10 0.00 0.00 41.96 39.14 1xeb s TYR 37 CO -0.08 0.06 1.51 -1.14 -2.51 0.00 0.00 175.55 173.39 1xeb s GLN 38 N -3.98 3.80 0.25 -3.49 2.00 -1.26 -4.84 119.66 112.15 1xeb s GLN 38 Ca 0.38 -1.72 -0.05 0.00 -2.00 0.00 0.00 55.36 51.97 1xeb s GLN 38 Cb 0.02 -5.33 0.32 0.00 0.80 0.00 0.00 33.01 28.82 1xeb s GLN 38 CO 0.21 -2.11 1.90 1.49 -0.50 0.00 0.00 175.29 176.28 1xeb h GLU 39 N 8.50 1.20 -4.95 1.67 4.57 -1.97 -3.25 114.58 120.36 1xeb h GLU 39 Ca 0.30 -0.07 -0.72 0.00 -1.18 0.00 0.00 59.36 57.69 1xeb h GLU 39 Cb 0.94 -0.27 -0.13 0.00 -0.16 0.00 0.00 28.75 29.13 1xeb h GLU 39 CO 1.37 0.79 1.88 0.28 -1.18 0.00 0.00 179.01 182.16 1xeb n VAL 40 N -4.46 4.09 1.48 0.32 0.31 -1.26 -4.82 118.33 113.99 1xeb n VAL 40 Ca 0.13 -4.34 0.02 0.00 -0.01 0.00 0.00 64.34 60.15 1xeb n VAL 40 Cb 0.09 -2.42 0.06 0.00 -0.91 0.00 0.00 33.84 30.66 1xeb n VAL 40 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xeb n ASP 41 N 6.47 0.83 0.00 4.52 3.85 -1.23 -4.92 116.55 126.07 1xeb n ASP 41 Ca 0.43 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.49 1xeb n ASP 41 Cb 0.43 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1xeb n ASP 41 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xeb n GLY 42 N 0.67 1.29 1.05 6.12 0.00 -1.26 -4.85 105.19 108.21 1xeb n GLY 42 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1xeb n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xeb n LEU 43 N 0.00 3.16 0.09 0.99 4.77 -1.26 -4.44 117.00 120.31 1xeb n LEU 43 Ca 0.00 -1.29 -0.17 0.00 -0.03 0.00 0.00 56.01 54.52 1xeb n LEU 43 Cb 0.00 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1xeb n LEU 43 CO 0.00 0.65 0.02 0.44 -1.33 0.00 0.00 177.39 177.16 1xeb h ASP 44 N 4.28 0.56 -1.50 -1.43 5.19 -1.98 -3.38 116.42 118.16 1xeb h ASP 44 Ca 0.00 -0.53 -0.61 0.00 -0.62 0.00 0.00 57.03 55.27 1xeb h ASP 44 Cb 0.94 -0.18 -0.40 0.00 0.18 0.00 0.00 39.33 39.86 1xeb h ASP 44 CO 0.00 1.37 -0.53 0.18 -3.12 0.00 0.00 179.24 177.14 1xeb n LEU 45 N -3.66 5.05 -4.17 1.55 4.77 -1.26 -4.76 117.00 114.53 1xeb n LEU 45 Ca -0.09 -5.13 -0.10 0.00 -0.03 0.00 0.00 56.01 50.65 1xeb n LEU 45 Cb 0.96 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1xeb n LEU 45 CO 0.54 2.17 -0.37 0.68 -1.33 0.00 0.00 177.39 179.08 1xeb s VAL 46 N -5.41 0.63 0.00 4.08 -7.23 -1.26 -5.03 120.40 106.18 1xeb s VAL 46 Ca 0.49 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1xeb s VAL 46 Cb 0.41 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1xeb s VAL 46 CO -0.19 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.37 1xeb n GLY 47 N -0.05 2.73 0.83 2.32 0.00 -1.26 -1.97 105.19 107.79 1xeb n GLY 47 Ca -0.12 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1xeb n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xeb n ASP 48 N 3.04 2.07 -4.65 1.61 8.00 -1.26 -4.94 116.55 120.43 1xeb n ASP 48 Ca 0.00 -3.87 -0.49 0.00 0.71 0.00 0.00 54.79 51.14 1xeb n ASP 48 Cb 0.00 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.50 1xeb n ASP 48 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xeb n THR 49 N -1.10 0.11 -3.90 -3.53 -1.04 -0.83 -4.47 114.28 99.52 1xeb n THR 49 Ca 0.24 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.05 62.02 1xeb n THR 49 Cb 0.80 -1.37 -0.04 0.00 -1.82 0.00 0.00 70.33 67.90 1xeb n THR 49 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1xeb s HIS 50 N 1.47 2.97 -0.16 -1.42 3.76 0.75 -1.78 115.29 120.90 1xeb s HIS 50 Ca 0.84 -0.24 -0.02 0.00 -0.15 0.00 0.00 55.06 55.49 1xeb s HIS 50 Cb -0.78 -1.68 0.05 0.00 1.11 0.00 0.00 32.58 31.27 1xeb s HIS 50 CO 0.44 0.28 -0.00 -1.01 -0.85 0.00 0.00 174.74 173.61 1xeb s HIS 51 N -2.25 1.18 0.46 1.40 3.76 0.46 -1.76 115.29 118.54 1xeb s HIS 51 Ca 0.39 -0.78 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1xeb s HIS 51 Cb -0.07 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.55 1xeb s HIS 51 CO 0.26 -0.55 0.69 -1.17 -0.85 0.00 0.00 174.74 173.13 1xeb s LEU 52 N 1.81 3.64 -0.30 0.89 2.96 -0.31 -1.76 118.68 125.60 1xeb s LEU 52 Ca 0.01 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.18 1xeb s LEU 52 Cb -0.15 -3.27 0.16 0.00 0.50 0.00 0.00 46.19 43.42 1xeb s LEU 52 CO -0.07 -0.69 0.91 0.00 -1.32 0.00 0.00 176.35 175.17 1xeb s ALA 54 N -2.59 -2.60 0.18 5.97 0.00 -0.62 -2.20 121.76 119.90 1xeb s ALA 54 Ca 0.48 2.06 0.08 0.00 0.00 0.00 0.00 51.96 54.58 1xeb s ALA 54 Cb -0.10 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1xeb s ALA 54 CO 0.39 -1.00 -0.02 -1.58 0.00 0.00 0.00 175.76 173.55 1xeb s TRP 55 N 2.59 2.80 -0.27 0.00 0.52 -0.60 -1.47 118.94 122.51 1xeb s TRP 55 Ca -0.02 -0.15 -0.04 0.00 0.02 0.00 0.00 56.10 55.91 1xeb s TRP 55 Cb -0.08 -1.36 0.15 0.00 -1.15 0.00 0.00 33.47 31.03 1xeb s TRP 55 CO -0.18 0.52 0.52 0.50 0.02 0.00 0.00 176.95 178.33 1xeb s ARG 56 N -2.92 0.48 -1.23 4.98 3.52 -0.38 -1.56 118.95 121.84 1xeb s ARG 56 Ca 0.27 0.97 -0.07 0.00 -0.13 0.00 0.00 55.73 56.76 1xeb s ARG 56 Cb -0.09 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1xeb s ARG 56 CO 0.18 -0.50 0.72 -0.25 -0.81 0.00 0.00 175.30 174.64 1xeb n ASP 57 N 5.41 -3.02 0.00 -2.12 8.00 -1.26 -1.90 116.55 121.66 1xeb n ASP 57 Ca -0.05 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1xeb n ASP 57 Cb 0.50 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xeb n GLY 58 N -1.61 1.83 3.69 0.44 0.00 -1.26 -5.00 105.19 103.28 1xeb n GLY 58 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1xeb n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xeb s GLN 59 N -0.07 3.16 -0.38 1.61 -1.52 -0.80 -5.08 119.66 116.59 1xeb s GLN 59 Ca 0.00 -0.38 -0.22 0.00 -1.95 0.00 0.00 55.36 52.81 1xeb s GLN 59 Cb 0.00 -2.87 0.01 0.00 -0.22 0.00 0.00 33.01 29.92 1xeb s GLN 59 CO 0.00 0.64 0.71 -1.17 -0.25 0.00 0.00 175.29 175.22 1xeb s LEU 60 N -0.71 4.22 -0.07 2.90 0.20 -1.26 -1.25 118.68 122.72 1xeb s LEU 60 Ca 0.11 0.16 0.21 0.00 0.69 0.00 0.00 54.13 55.30 1xeb s LEU 60 Cb -0.12 -2.89 -0.30 0.00 -0.43 0.00 0.00 46.19 42.45 1xeb s LEU 60 CO 0.02 -0.70 0.39 0.18 -0.29 0.00 0.00 176.35 175.96 1xeb n LEU 61 N 6.28 0.04 -3.78 -0.68 4.77 -0.54 -4.76 117.00 118.33 1xeb n LEU 61 Ca 0.01 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1xeb n LEU 61 Cb 0.48 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1xeb n LEU 61 CO 0.52 0.13 -0.03 0.00 -1.33 0.00 0.00 177.39 176.69 1xeb s ALA 62 N -3.22 -0.70 0.04 -1.18 0.00 -1.19 0.88 121.76 116.38 1xeb s ALA 62 Ca -0.08 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 1xeb s ALA 62 Cb 0.12 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1xeb s ALA 62 CO 0.88 -0.22 0.45 -0.47 0.00 0.00 0.00 175.76 176.40 1xeb s TYR 63 N -0.87 -0.32 -0.09 0.00 5.04 -0.24 -1.59 117.35 119.28 1xeb s TYR 63 Ca -0.10 0.34 -0.29 0.00 -2.44 0.00 0.00 57.07 54.58 1xeb s TYR 63 Cb -0.05 0.25 0.07 0.00 0.35 0.00 0.00 41.96 42.58 1xeb s TYR 63 CO 0.03 -0.58 0.66 -0.48 -1.34 0.00 0.00 175.55 173.84 1xeb s LEU 64 N -1.90 -0.58 -0.04 6.97 0.05 -0.93 -1.09 118.68 121.15 1xeb s LEU 64 Ca -0.06 0.82 0.02 0.00 0.05 0.00 0.00 54.13 54.96 1xeb s LEU 64 Cb -0.01 2.45 -0.03 0.00 -2.05 0.00 0.00 46.19 46.55 1xeb s LEU 64 CO -0.01 -0.53 -0.07 -0.60 -0.55 0.00 0.00 176.35 174.58 1xeb s ARG 65 N -0.90 2.65 -0.21 1.48 3.52 -0.30 -1.17 118.95 124.03 1xeb s ARG 65 Ca -0.09 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1xeb s ARG 65 Cb -0.01 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1xeb s ARG 65 CO 0.08 0.64 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.57 1xeb s LEU 66 N -1.04 2.67 -0.11 -0.88 1.43 -0.72 -1.44 118.68 118.59 1xeb s LEU 66 Ca 0.14 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1xeb s LEU 66 Cb -0.11 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 1xeb s LEU 66 CO 0.04 -0.05 0.32 -0.76 0.23 0.00 0.00 176.35 176.13 1xeb s LEU 67 N 1.33 4.33 0.55 1.79 1.02 0.86 -0.17 118.68 128.38 1xeb s LEU 67 Ca 0.03 0.65 -0.20 0.00 0.02 0.00 0.00 54.13 54.64 1xeb s LEU 67 Cb -0.15 -2.42 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 1xeb s LEU 67 CO -0.08 0.19 1.16 1.51 0.02 0.00 0.00 176.35 179.15 1xeb s ASP 68 N -0.12 5.59 0.26 2.29 -4.77 -1.26 -1.84 116.67 116.83 1xeb s ASP 68 Ca 0.19 2.26 -0.03 0.00 -3.30 0.00 0.00 52.55 51.67 1xeb s ASP 68 Cb -0.14 -2.59 0.33 0.00 -1.09 0.00 0.00 42.92 39.44 1xeb s ASP 68 CO 0.07 -1.31 1.83 1.55 0.70 0.00 0.00 175.17 178.01 1xeb h PRO 69 N 1.19 0.98 -0.16 2.11 0.13 -1.89 -3.03 132.00 131.33 1xeb h PRO 69 Ca -0.50 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.42 1xeb h PRO 69 Cb 1.27 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xeb h PRO 69 CO 0.57 0.81 -0.09 -0.39 -0.23 0.00 0.00 178.00 178.66 1xeb h VAL 70 N 0.96 1.16 -0.00 1.56 -1.51 -1.94 -0.66 116.25 115.82 1xeb h VAL 70 Ca 0.22 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1xeb h VAL 70 Cb 0.21 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1xeb h VAL 70 CO -0.02 0.22 -0.08 0.54 -1.23 0.00 0.00 177.57 177.01 1xeb n ARG 71 N -4.30 0.75 -3.15 5.19 1.74 -1.16 -4.25 116.66 111.48 1xeb n ARG 71 Ca -0.01 -0.22 -0.21 0.00 -0.77 0.00 0.00 57.85 56.65 1xeb n ARG 71 Cb 0.24 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 1xeb n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xeb n HIS 72 N -0.94 1.00 -3.92 -1.55 8.25 -0.37 -5.00 115.22 112.70 1xeb n HIS 72 Ca 0.16 -3.83 -0.30 0.00 -0.26 0.00 0.00 57.72 53.48 1xeb n HIS 72 Cb 0.26 -0.43 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 1xeb n HIS 72 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1xeb n GLU 73 N 0.35 -0.84 -1.72 -0.41 4.71 -1.19 -1.67 120.64 119.88 1xeb n GLU 73 Ca 0.26 0.10 -0.03 0.00 -0.01 0.00 0.00 57.16 57.47 1xeb n GLU 73 Cb 0.58 -3.39 -0.01 0.00 -1.01 0.00 0.00 31.44 27.62 1xeb n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xeb n GLY 74 N -1.44 0.38 2.91 0.62 0.00 -0.55 -5.06 105.19 102.05 1xeb n GLY 74 Ca -0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1xeb n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xeb s GLN 75 N -3.50 0.22 -0.02 1.61 -0.21 -0.67 -4.54 119.66 112.55 1xeb s GLN 75 Ca 0.00 -0.09 -0.26 0.00 0.02 0.00 0.00 55.36 55.03 1xeb s GLN 75 Cb 0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.76 1xeb s GLN 75 CO 0.00 0.05 0.80 0.14 -2.12 0.00 0.00 175.29 174.17 1xeb s VAL 76 N -0.04 4.91 -0.22 1.09 -7.23 -0.29 -3.83 120.40 114.79 1xeb s VAL 76 Ca 0.01 1.68 -0.08 0.00 -1.81 0.00 0.00 61.98 61.78 1xeb s VAL 76 Cb -0.01 -4.15 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 1xeb s VAL 76 CO -0.00 0.25 0.08 -0.69 -0.31 0.00 0.00 175.10 174.43 1xeb s VAL 77 N 0.66 4.60 -0.19 1.32 1.01 -0.76 0.15 120.40 127.19 1xeb s VAL 77 Ca 0.42 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1xeb s VAL 77 Cb -0.19 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1xeb s VAL 77 CO 0.22 0.38 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 1xeb s ILE 78 N 1.11 5.23 0.26 2.22 1.01 -0.04 -0.09 121.20 130.89 1xeb s ILE 78 Ca 0.05 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1xeb s ILE 78 Cb -0.14 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.99 1xeb s ILE 78 CO 0.03 0.46 0.50 0.61 0.00 0.00 0.00 174.94 176.54 1xeb n GLY 79 N 3.38 1.49 4.10 6.18 0.00 -0.52 -4.41 105.19 115.41 1xeb n GLY 79 Ca -0.16 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1xeb n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xeb n ARG 80 N -0.36 -4.19 -2.30 1.61 5.12 -1.26 -1.15 116.66 114.13 1xeb n ARG 80 Ca -0.05 0.47 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 1xeb n ARG 80 Cb 0.40 -5.28 -0.02 0.00 -1.16 0.00 0.00 32.46 26.40 1xeb n ARG 80 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xeb s VAL 81 N -3.28 4.06 0.02 1.55 1.01 -1.26 -4.09 120.40 118.40 1xeb s VAL 81 Ca 0.72 1.27 -0.14 0.00 0.00 0.00 0.00 61.98 63.83 1xeb s VAL 81 Cb -0.38 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1xeb s VAL 81 CO 0.89 -0.17 0.30 0.54 0.00 0.00 0.00 175.10 176.66 1xeb s VAL 82 N 3.86 0.07 -0.04 2.92 0.11 -0.25 -5.02 120.40 122.05 1xeb s VAL 82 Ca 0.60 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1xeb s VAL 82 Cb -0.24 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1xeb s VAL 82 CO 0.20 -0.33 0.11 -0.94 -3.33 0.00 0.00 175.10 170.81 1xeb s SER 83 N -1.75 -0.11 0.31 3.54 1.04 -1.26 -1.07 113.70 114.39 1xeb s SER 83 Ca -0.09 0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 1xeb s SER 83 Cb -0.03 0.22 -0.12 0.00 0.10 0.00 0.00 66.02 66.20 1xeb s SER 83 CO -0.00 -0.05 1.53 -0.24 0.98 0.00 0.00 173.24 175.47 1xeb n SER 84 N 3.11 3.66 -0.16 7.02 2.88 0.25 -4.88 113.62 125.50 1xeb n SER 84 Ca -0.13 1.17 0.19 0.00 -1.33 0.00 0.00 58.87 58.77 1xeb n SER 84 Cb 0.59 -1.58 0.58 0.00 -0.75 0.00 0.00 64.21 63.05 1xeb n SER 84 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xeb h SER 85 N 4.18 0.26 0.96 -3.46 4.64 -1.99 -0.58 113.55 117.56 1xeb h SER 85 Ca -0.48 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1xeb h SER 85 Cb 1.24 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1xeb h SER 85 CO 0.74 0.12 -0.22 0.00 -0.87 0.00 0.00 176.83 176.61 1xeb h ALA 86 N 1.64 1.01 -0.58 5.18 0.00 -1.97 -3.12 119.26 121.41 1xeb h ALA 86 Ca 0.38 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.82 1xeb h ALA 86 Cb 1.10 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 1xeb h ALA 86 CO -0.10 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.62 1xeb n ALA 87 N -2.22 4.64 -2.50 0.00 0.00 -0.23 -5.03 120.51 115.17 1xeb n ALA 87 Ca 0.00 -2.93 -0.23 0.00 0.00 0.00 0.00 53.44 50.28 1xeb n ALA 87 Cb 0.43 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 1xeb n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xeb s ARG 88 N -3.21 3.29 0.00 0.00 0.52 -1.18 -4.27 118.95 114.10 1xeb s ARG 88 Ca 0.49 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1xeb s ARG 88 Cb 0.43 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1xeb s ARG 88 CO 0.05 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1xeb n GLY 89 N -1.90 0.94 1.44 -3.53 0.00 -1.26 -4.88 105.19 95.99 1xeb n GLY 89 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1xeb n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xeb n GLN 90 N -2.08 3.80 -1.84 1.61 1.13 -1.26 -4.96 117.38 113.78 1xeb n GLN 90 Ca 0.00 -2.88 -0.04 0.00 -1.94 0.00 0.00 57.00 52.14 1xeb n GLN 90 Cb 0.00 -1.92 -0.01 0.00 0.11 0.00 0.00 30.24 28.42 1xeb n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xeb n GLY 91 N 0.60 0.32 0.22 1.08 0.00 -1.26 -4.93 105.19 101.22 1xeb n GLY 91 Ca 0.24 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1xeb n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xeb h LEU 92 N 0.00 0.29 -0.53 0.99 3.38 -1.93 -2.83 115.31 114.67 1xeb h LEU 92 Ca -0.10 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1xeb h LEU 92 Cb 0.88 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1xeb h LEU 92 CO 0.13 0.58 0.15 1.23 0.09 0.00 0.00 178.44 180.61 1xeb h GLY 93 N 1.04 0.69 1.61 0.83 0.00 -1.95 0.64 103.07 105.93 1xeb h GLY 93 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1xeb h GLY 93 CO 0.05 -0.05 -0.22 0.45 0.00 0.00 0.00 176.54 176.77 1xeb h HIS 94 N 0.30 0.51 -0.19 5.60 3.86 -1.91 -2.86 115.15 120.45 1xeb h HIS 94 Ca 0.27 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 59.24 1xeb h HIS 94 Cb 0.35 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1xeb h HIS 94 CO -0.20 0.65 -0.45 1.96 0.86 0.00 0.00 177.93 180.75 1xeb h GLN 95 N 0.41 0.48 -0.27 2.45 4.20 -1.11 -1.26 115.11 120.01 1xeb h GLN 95 Ca 0.07 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1xeb h GLN 95 Cb 0.62 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1xeb h GLN 95 CO 0.04 0.84 0.00 1.28 -0.67 0.00 0.00 178.83 180.33 1xeb n LEU 96 N -4.00 0.27 0.00 1.46 4.77 0.12 -1.71 117.00 117.91 1xeb n LEU 96 Ca -0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1xeb n LEU 96 Cb 0.54 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xeb n LEU 96 CO 0.45 0.07 0.00 1.21 -1.33 0.00 0.00 177.39 177.79 1xeb n GLU 98 N 0.19 0.00 0.13 3.23 2.13 -0.48 -0.06 120.64 125.79 1xeb n GLU 98 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1xeb n GLU 98 Cb 0.07 0.00 0.19 0.00 0.27 0.00 0.00 31.44 31.97 1xeb n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xeb h ARG 99 N 0.00 0.04 -0.11 5.31 3.08 -1.59 -2.47 114.38 118.65 1xeb h ARG 99 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xeb h ARG 99 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xeb h ARG 99 CO 0.00 0.61 0.01 0.00 -1.07 0.00 0.00 179.97 179.52 1xeb h ALA 100 N 1.39 0.15 -0.87 0.04 0.00 -0.72 0.84 119.26 120.09 1xeb h ALA 100 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xeb h ALA 100 Cb 1.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1xeb h ALA 100 CO 0.08 -0.20 0.57 -0.07 0.00 0.00 0.00 179.25 179.64 1xeb h LEU 101 N -0.05 0.99 -0.72 0.00 4.07 -1.78 -0.04 115.31 117.77 1xeb h LEU 101 Ca 0.03 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1xeb h LEU 101 Cb 0.30 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1xeb h LEU 101 CO 0.00 0.71 -0.36 -0.61 -1.08 0.00 0.00 178.44 177.11 1xeb h GLN 102 N 1.17 0.57 -0.22 1.13 4.15 -1.18 -1.82 115.11 118.90 1xeb h GLN 102 Ca 0.32 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 1xeb h GLN 102 Cb -0.12 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1xeb h GLN 102 CO -0.07 0.84 -0.19 0.00 -1.93 0.00 0.00 178.83 177.48 1xeb h ALA 103 N 1.13 0.32 -0.68 3.38 0.00 -0.05 -1.36 119.26 122.00 1xeb h ALA 103 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xeb h ALA 103 Cb 0.84 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1xeb h ALA 103 CO 0.07 0.25 0.43 0.00 0.00 0.00 0.00 179.25 179.99 1xeb h ALA 104 N 0.67 0.88 -0.28 0.00 0.00 -0.96 0.23 119.26 119.80 1xeb h ALA 104 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xeb h ALA 104 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xeb h ALA 104 CO 0.05 0.20 0.15 1.49 0.00 0.00 0.00 179.25 181.14 1xeb h GLU 105 N 0.84 0.38 -0.18 0.00 4.57 -1.26 0.56 114.58 119.50 1xeb h GLU 105 Ca 0.27 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1xeb h GLU 105 Cb 0.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1xeb h GLU 105 CO -0.10 0.34 0.05 -0.09 -1.18 0.00 0.00 179.01 178.03 1xeb h ARG 106 N 0.33 0.28 0.11 1.92 2.43 -0.76 -2.03 114.38 116.66 1xeb h ARG 106 Ca 0.10 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1xeb h ARG 106 Cb 0.07 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1xeb h ARG 106 CO -0.02 0.40 -0.83 -0.07 -1.51 0.00 0.00 179.97 177.95 1xeb h LEU 107 N 0.10 0.54 -5.05 3.80 3.38 -0.46 -3.39 115.31 114.23 1xeb h LEU 107 Ca 0.06 -0.89 -0.50 0.00 0.09 0.00 0.00 57.88 56.64 1xeb h LEU 107 Cb 0.25 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 40.41 1xeb h LEU 107 CO -0.00 1.38 -0.94 0.79 0.09 0.00 0.00 178.44 179.76 1xeb n TRP 108 N -4.10 2.27 -0.92 1.13 8.01 0.20 -5.08 117.44 118.95 1xeb n TRP 108 Ca -0.13 -3.29 -0.34 0.00 -1.31 0.00 0.00 57.50 52.43 1xeb n TRP 108 Cb 0.81 -0.30 -0.04 0.00 -2.01 0.00 0.00 31.31 29.77 1xeb n TRP 108 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 1xeb n LEU 109 N -0.18 -0.37 -1.54 -0.99 7.94 -0.76 -0.72 117.00 120.37 1xeb n LEU 109 Ca 0.26 0.73 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 1xeb n LEU 109 Cb 0.66 -0.59 -0.09 0.00 0.53 0.00 0.00 43.42 43.93 1xeb n LEU 109 CO 0.29 -1.53 -0.19 0.47 -1.11 0.00 0.00 177.39 175.32 1xeb n ASP 110 N 1.10 -5.51 -4.64 1.96 10.43 -1.26 -4.97 116.55 113.65 1xeb n ASP 110 Ca 0.12 0.50 -0.36 0.00 2.57 0.00 0.00 54.79 57.62 1xeb n ASP 110 Cb 0.10 -4.79 -0.10 0.00 1.84 0.00 0.00 41.12 38.17 1xeb n ASP 110 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1xeb s THR 111 N -2.72 5.21 0.61 -3.53 2.01 0.10 -5.06 115.64 112.25 1xeb s THR 111 Ca 0.00 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 1xeb s THR 111 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1xeb s THR 111 CO 0.00 0.35 1.30 -2.16 -0.69 0.00 0.00 174.62 173.43 1xeb s PRO 112 N 1.05 2.79 -0.13 4.92 0.04 -1.26 -4.68 135.00 137.73 1xeb s PRO 112 Ca 0.07 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 1xeb s PRO 112 Cb -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1xeb s PRO 112 CO 0.04 -1.42 0.07 0.08 0.04 0.00 0.00 177.00 175.81 1xeb s VAL 113 N -1.39 4.87 0.02 -0.36 1.01 -1.07 -1.14 120.40 122.33 1xeb s VAL 113 Ca 0.78 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.81 1xeb s VAL 113 Cb -0.38 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1xeb s VAL 113 CO 0.41 0.56 -0.20 -0.47 0.00 0.00 0.00 175.10 175.40 1xeb s TYR 114 N -0.47 1.81 0.06 5.22 6.14 0.12 -0.38 117.35 129.85 1xeb s TYR 114 Ca 0.10 -0.36 -0.11 0.00 0.64 0.00 0.00 57.07 57.34 1xeb s TYR 114 Cb -0.12 -1.12 0.01 0.00 0.42 0.00 0.00 41.96 41.15 1xeb s TYR 114 CO 0.02 0.04 0.24 -0.48 0.64 0.00 0.00 175.55 176.01 1xeb s LEU 115 N -0.86 1.17 -0.44 6.97 0.05 -1.26 -0.86 118.68 123.45 1xeb s LEU 115 Ca 0.08 -0.37 -0.11 0.00 0.05 0.00 0.00 54.13 53.77 1xeb s LEU 115 Cb -0.08 1.15 0.08 0.00 -2.05 0.00 0.00 46.19 45.29 1xeb s LEU 115 CO 0.01 -0.63 0.31 -0.55 -0.55 0.00 0.00 176.35 174.93 1xeb s SER 116 N -2.29 5.79 0.05 1.48 0.15 -1.26 -4.46 113.70 113.16 1xeb s SER 116 Ca -0.02 -1.47 -0.03 0.00 0.70 0.00 0.00 55.95 55.13 1xeb s SER 116 Cb 0.01 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1xeb s SER 116 CO -0.06 -0.58 0.25 0.00 1.20 0.00 0.00 173.24 174.05 1xeb s ALA 117 N 1.49 3.93 0.21 5.45 0.00 -0.58 -4.88 121.76 127.37 1xeb s ALA 117 Ca 0.03 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 1xeb s ALA 117 Cb -0.24 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.84 1xeb s ALA 117 CO 0.03 0.75 1.52 -0.65 0.00 0.00 0.00 175.76 177.41 1xeb s GLN 118 N -2.28 4.23 0.22 0.00 -0.21 -1.26 0.08 119.66 120.43 1xeb s GLN 118 Ca 0.33 2.36 -0.01 0.00 0.02 0.00 0.00 55.36 58.06 1xeb s GLN 118 Cb -0.13 -3.13 0.49 0.00 1.00 0.00 0.00 33.01 31.25 1xeb s GLN 118 CO 0.23 -0.54 1.15 0.00 -2.12 0.00 0.00 175.29 174.01 1xeb n ALA 119 N 3.20 0.31 0.03 6.09 0.00 0.47 -2.24 120.51 128.38 1xeb n ALA 119 Ca 0.11 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.22 1xeb n ALA 119 Cb 0.39 -0.55 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 1xeb n ALA 119 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xeb h HIS 120 N 0.00 -0.13 0.00 0.00 2.07 -1.89 -3.25 115.15 111.94 1xeb h HIS 120 Ca 0.42 -0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.90 1xeb h HIS 120 Cb 0.80 0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 1xeb h HIS 120 CO -0.43 0.34 -0.02 1.47 -3.07 0.00 0.00 177.93 176.22 1xeb n LEU 121 N -4.91 3.35 0.10 6.12 -0.00 -0.95 -4.02 117.00 116.69 1xeb n LEU 121 Ca -0.08 -1.72 -0.05 0.00 -0.00 0.00 0.00 56.01 54.15 1xeb n LEU 121 Cb 0.27 -0.77 0.04 0.00 -0.00 0.00 0.00 43.42 42.96 1xeb n LEU 121 CO 0.30 0.71 0.33 -0.61 -0.00 0.00 0.00 177.39 178.12 1xeb h GLN 122 N 2.70 0.09 -0.09 1.47 4.15 -1.65 -3.22 115.11 118.56 1xeb h GLN 122 Ca 0.04 -0.09 -0.23 0.00 0.77 0.00 0.00 58.65 59.13 1xeb h GLN 122 Cb 0.73 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.45 1xeb h GLN 122 CO 0.10 0.83 -0.87 0.00 -1.93 0.00 0.00 178.83 176.96 1xeb h ALA 123 N 1.14 0.28 -0.88 3.38 0.00 -1.90 -2.74 119.26 118.55 1xeb h ALA 123 Ca -0.02 -0.64 0.20 0.00 0.00 0.00 0.00 54.91 54.45 1xeb h ALA 123 Cb 1.39 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1xeb h ALA 123 CO 0.11 0.70 0.39 -0.92 0.00 0.00 0.00 179.25 179.54 1xeb h TYR 124 N 0.46 0.66 0.07 0.00 5.03 -1.87 -0.72 116.97 120.60 1xeb h TYR 124 Ca -0.08 0.04 -0.26 0.00 2.58 0.00 0.00 58.73 61.01 1xeb h TYR 124 Cb 1.50 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.61 1xeb h TYR 124 CO 0.09 0.00 -1.26 1.88 -1.32 0.00 0.00 178.16 177.55 1xeb h TYR 125 N 0.45 0.26 -0.30 -3.82 0.05 -1.62 -3.23 116.97 108.76 1xeb h TYR 125 Ca 0.53 -0.19 0.09 0.00 0.05 0.00 0.00 58.73 59.21 1xeb h TYR 125 Cb 0.95 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1xeb h TYR 125 CO -0.13 1.17 0.27 0.78 -1.05 0.00 0.00 178.16 179.20 1xeb h GLY 126 N 2.31 0.00 2.00 3.88 0.00 -0.83 0.75 103.07 111.18 1xeb h GLY 126 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xeb h GLY 126 CO 0.16 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.91 1xeb h ARG 127 N 0.00 0.00 -0.43 4.80 3.08 -1.43 -1.68 114.38 118.72 1xeb h ARG 127 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xeb h ARG 127 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1xeb h ARG 127 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1xeb n TYR 128 N -2.56 0.56 -0.36 3.04 4.01 0.25 -4.90 117.16 117.21 1xeb n TYR 128 Ca 0.03 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1xeb n TYR 128 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1xeb n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xeb n GLY 129 N 1.38 0.79 3.80 2.72 0.00 -0.63 -5.00 105.19 108.25 1xeb n GLY 129 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1xeb n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xeb s PHE 130 N -2.16 3.61 0.05 1.61 0.08 -0.88 -4.16 117.98 116.13 1xeb s PHE 130 Ca 0.00 1.56 0.05 0.00 0.12 0.00 0.00 56.93 58.66 1xeb s PHE 130 Cb 0.00 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 1xeb s PHE 130 CO 0.00 0.22 -0.14 0.08 -0.10 0.00 0.00 175.22 175.28 1xeb s VAL 131 N -1.66 1.13 0.29 -0.44 1.01 -0.50 -3.83 120.40 116.40 1xeb s VAL 131 Ca 0.49 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1xeb s VAL 131 Cb -0.16 -1.04 -0.11 0.00 0.00 0.00 0.00 36.38 35.07 1xeb s VAL 131 CO 0.21 -0.04 1.61 0.00 0.00 0.00 0.00 175.10 176.88 1xeb s ALA 132 N -0.94 3.76 0.00 5.51 0.00 -1.26 -1.65 121.76 127.18 1xeb s ALA 132 Ca 0.01 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xeb s ALA 132 Cb -0.08 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1xeb s ALA 132 CO 0.01 -0.99 0.32 1.33 0.00 0.00 0.00 175.76 176.44 1xeb n VAL 133 N 2.26 0.05 -4.20 0.00 0.24 0.12 -4.88 118.33 111.92 1xeb n VAL 133 Ca 0.09 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1xeb n VAL 133 Cb 0.37 1.37 -0.10 0.00 -1.47 0.00 0.00 33.84 34.02 1xeb n VAL 133 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1xeb s THR 134 N -0.05 0.00 0.65 3.34 -4.23 -1.19 -4.96 115.64 109.20 1xeb s THR 134 Ca 0.00 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1xeb s THR 134 Cb 0.00 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1xeb s THR 134 CO 0.00 0.00 0.97 -0.70 -0.54 0.00 0.00 174.62 174.35 1xeb s GLU 135 N -4.13 2.64 0.32 3.99 2.56 -1.26 -4.65 118.70 118.17 1xeb s GLU 135 Ca 0.39 -0.04 -0.28 0.00 0.00 0.00 0.00 54.97 55.03 1xeb s GLU 135 Cb 0.07 -2.20 -0.10 0.00 2.00 0.00 0.00 34.13 33.90 1xeb s GLU 135 CO 0.13 -0.94 1.17 0.54 -0.56 0.00 0.00 175.26 175.59 1xeb s VAL 136 N -3.13 3.22 0.22 3.70 0.11 -1.26 -4.65 120.40 118.62 1xeb s VAL 136 Ca 0.57 1.18 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 1xeb s VAL 136 Cb -0.11 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1xeb s VAL 136 CO 0.46 0.24 0.07 -0.72 -3.33 0.00 0.00 175.10 171.82 1xeb s TYR 137 N -1.23 1.39 -0.01 1.54 -0.85 -0.58 -4.96 117.35 112.66 1xeb s TYR 137 Ca 0.49 -1.15 -0.04 0.00 -0.52 0.00 0.00 57.07 55.85 1xeb s TYR 137 Cb -0.33 -0.80 -0.04 0.00 0.38 0.00 0.00 41.96 41.16 1xeb s TYR 137 CO 0.43 -0.33 0.20 -0.51 -1.52 0.00 0.00 175.55 173.83 1xeb s LEU 138 N -3.25 4.37 -0.11 -3.49 2.01 -1.26 -0.81 118.68 116.13 1xeb s LEU 138 Ca 0.33 0.41 -0.04 0.00 0.01 0.00 0.00 54.13 54.85 1xeb s LEU 138 Cb 0.07 -2.58 0.05 0.00 0.01 0.00 0.00 46.19 43.74 1xeb s LEU 138 CO 0.10 0.27 0.07 -1.61 1.01 0.00 0.00 176.35 176.20 1xeb s GLU 139 N -1.81 0.02 -1.61 1.70 2.02 -0.66 -4.78 118.70 113.57 1xeb s GLU 139 Ca 0.26 0.12 -0.15 0.00 0.02 0.00 0.00 54.97 55.23 1xeb s GLU 139 Cb -0.13 -1.23 0.12 0.00 0.10 0.00 0.00 34.13 32.99 1xeb s GLU 139 CO 0.17 -0.51 0.79 -3.47 0.02 0.00 0.00 175.26 172.26 1xeb n ASP 140 N 5.28 -3.29 -1.00 -0.19 4.64 -1.26 0.14 116.55 120.87 1xeb n ASP 140 Ca -0.05 -0.95 -0.13 0.00 -1.38 0.00 0.00 54.79 52.28 1xeb n ASP 140 Cb 0.49 -3.12 -0.06 0.00 -1.04 0.00 0.00 41.12 37.40 1xeb n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1xeb n ASP 141 N -2.75 -5.48 -4.49 1.67 2.03 -1.26 -4.96 116.55 101.30 1xeb n ASP 141 Ca 0.01 0.32 -0.35 0.00 0.52 0.00 0.00 54.79 55.29 1xeb n ASP 141 Cb 0.53 -4.13 -0.12 0.00 -0.72 0.00 0.00 41.12 36.68 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xeb s ILE 142 N -2.18 4.18 0.14 5.18 -1.09 0.37 -5.05 121.20 122.75 1xeb s ILE 142 Ca 0.00 -0.24 -0.31 0.00 -2.23 0.00 0.00 60.65 57.87 1xeb s ILE 142 Cb 0.00 -2.89 -0.09 0.00 -1.58 0.00 0.00 42.46 37.90 1xeb s ILE 142 CO 0.00 0.43 1.49 -2.16 -1.23 0.00 0.00 174.94 173.47 1xeb s PRO 143 N 0.87 4.26 0.31 2.79 0.04 -1.26 -1.66 135.00 140.36 1xeb s PRO 143 Ca 0.02 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1xeb s PRO 143 Cb -0.14 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 1xeb s PRO 143 CO 0.02 -0.54 0.03 -1.01 0.04 0.00 0.00 177.00 175.54 1xeb s HIS 144 N 1.20 1.95 -0.22 0.56 3.76 0.01 0.18 115.29 122.73 1xeb s HIS 144 Ca 0.68 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 1xeb s HIS 144 Cb -0.40 -1.24 0.07 0.00 1.11 0.00 0.00 32.58 32.11 1xeb s HIS 144 CO 0.31 0.08 0.54 -1.50 -0.85 0.00 0.00 174.74 173.31 1xeb s ILE 145 N -3.23 -0.01 0.87 0.60 2.07 0.11 -1.52 121.20 120.09 1xeb s ILE 145 Ca 0.34 0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.49 1xeb s ILE 145 Cb 0.08 -0.78 0.12 0.00 0.13 0.00 0.00 42.46 42.00 1xeb s ILE 145 CO 0.14 0.02 1.23 -0.83 -1.91 0.00 0.00 174.94 173.59 1xeb s GLY 146 N 1.33 1.65 -0.18 1.50 0.00 -1.26 -1.53 107.32 108.83 1xeb s GLY 146 Ca -0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 1xeb s GLY 146 CO -0.14 -0.24 1.05 1.09 0.00 0.00 0.00 173.10 174.86 1xeb s ARG 148 N -5.67 0.51 -0.16 2.90 1.04 -0.66 0.10 118.95 117.01 1xeb s ARG 148 Ca 0.66 0.14 -0.01 0.00 -1.04 0.00 0.00 55.73 55.48 1xeb s ARG 148 Cb -0.09 0.24 -0.01 0.00 -2.04 0.00 0.00 34.95 33.05 1xeb s ARG 148 CO 0.51 -0.16 -0.10 0.50 -0.04 0.00 0.00 175.30 176.00 1xeb s ARG 149 N -1.04 3.37 0.00 3.89 3.52 0.49 -1.41 118.95 127.77 1xeb s ARG 149 Ca -0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1xeb s ARG 149 Cb -0.01 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1xeb s ARG 149 CO -0.00 0.06 0.00 0.00 -0.81 0.00 0.00 175.30 174.55