#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xeb s ASP 4 N 0.00 3.73 0.05 -1.43 -0.00 -0.53 -4.95 116.67 113.54 1xeb s ASP 4 Ca 0.00 -0.59 0.02 0.00 -0.00 0.00 0.00 52.55 51.98 1xeb s ASP 4 Cb 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 42.92 41.28 1xeb s ASP 4 CO 0.00 -0.02 0.07 0.26 -0.00 0.00 0.00 175.17 175.48 1xeb s TRP 5 N 1.36 3.20 -0.09 4.23 0.52 -1.26 -0.23 118.94 126.68 1xeb s TRP 5 Ca 0.05 0.11 -0.19 0.00 0.02 0.00 0.00 56.10 56.09 1xeb s TRP 5 Cb -0.14 -1.65 0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1xeb s TRP 5 CO -0.08 0.52 0.45 0.95 0.02 0.00 0.00 176.95 178.81 1xeb s THR 6 N -1.32 0.02 -0.48 2.01 -4.23 -1.26 -5.02 115.64 105.37 1xeb s THR 6 Ca 0.27 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1xeb s THR 6 Cb -0.12 -0.71 0.13 0.00 1.34 0.00 0.00 72.50 73.14 1xeb s THR 6 CO 0.19 -0.10 0.25 0.00 -0.54 0.00 0.00 174.62 174.42 1xeb s LYS 8 N 0.05 3.84 0.11 0.00 1.02 -0.65 -4.81 119.74 119.32 1xeb s LYS 8 Ca 0.17 0.33 -0.30 0.00 0.02 0.00 0.00 55.97 56.18 1xeb s LYS 8 Cb -0.25 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 33.79 1xeb s LYS 8 CO 0.00 0.69 1.20 -1.58 -0.92 0.00 0.00 175.35 174.75 1xeb s HIS 9 N -1.10 3.44 0.43 3.18 5.65 -1.26 -0.64 115.29 124.99 1xeb s HIS 9 Ca 0.23 1.34 0.26 0.00 0.25 0.00 0.00 55.06 57.15 1xeb s HIS 9 Cb -0.16 -3.43 1.32 0.00 -1.18 0.00 0.00 32.58 29.14 1xeb s HIS 9 CO 0.13 -1.26 1.67 1.12 -0.65 0.00 0.00 174.74 175.75 1xeb h HIS 10 N 6.15 0.55 -0.02 3.88 -0.00 -1.74 0.39 115.15 124.36 1xeb h HIS 10 Ca -0.43 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.97 1xeb h HIS 10 Cb 1.21 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1xeb h HIS 10 CO 0.65 -0.12 0.07 0.00 -0.00 0.00 0.00 177.93 178.53 1xeb h ALA 11 N 1.60 1.24 -0.15 6.11 0.00 -1.89 -1.67 119.26 124.50 1xeb h ALA 11 Ca 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1xeb h ALA 11 Cb 2.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1xeb h ALA 11 CO -0.37 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.54 1xeb n ASP 12 N -3.27 3.15 -4.74 0.00 8.00 0.14 -4.99 116.55 114.84 1xeb n ASP 12 Ca -0.02 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.15 1xeb n ASP 12 Cb 0.15 -0.09 0.08 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.83 3.27 0.29 0.64 1.43 -0.63 -4.99 118.68 116.86 1xeb s LEU 13 Ca 0.32 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.62 1xeb s LEU 13 Cb 0.21 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 1xeb s LEU 13 CO 0.31 -2.07 0.36 0.42 0.23 0.00 0.00 176.35 175.60 1xeb s THR 14 N -2.30 4.41 0.34 5.49 -4.23 -1.26 -4.97 115.64 113.12 1xeb s THR 14 Ca 0.69 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1xeb s THR 14 Cb -0.24 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1xeb s THR 14 CO 0.46 -0.24 1.95 -0.07 -0.54 0.00 0.00 174.62 176.18 1xeb h LEU 15 N 1.13 0.74 -0.28 4.79 3.38 -2.00 -1.82 115.31 121.26 1xeb h LEU 15 Ca -0.48 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1xeb h LEU 15 Cb 1.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1xeb h LEU 15 CO 0.57 0.49 -0.18 0.11 0.09 0.00 0.00 178.44 179.52 1xeb h LYS 16 N 0.85 0.61 0.05 1.13 6.56 -1.98 -1.65 116.57 122.13 1xeb h LYS 16 Ca 0.32 -0.28 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1xeb h LYS 16 Cb 0.20 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1xeb h LYS 16 CO -0.11 0.87 -0.08 0.93 -2.06 0.00 0.00 179.45 179.00 1xeb h GLU 17 N 0.34 -0.15 -0.17 3.15 5.08 -1.84 0.22 114.58 121.21 1xeb h GLU 17 Ca 0.06 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xeb h GLU 17 Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1xeb h GLU 17 CO 0.05 -0.10 0.10 1.25 -1.00 0.00 0.00 179.01 179.30 1xeb h LEU 18 N -0.16 0.20 0.22 1.33 6.46 -1.36 -0.15 115.31 121.86 1xeb h LEU 18 Ca 0.01 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1xeb h LEU 18 Cb 0.17 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1xeb h LEU 18 CO -0.04 0.21 -0.28 0.22 -0.62 0.00 0.00 178.44 177.93 1xeb h TYR 19 N 0.18 -0.74 -0.64 1.25 5.03 -1.10 -1.45 116.97 119.50 1xeb h TYR 19 Ca 0.06 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.46 1xeb h TYR 19 Cb 0.04 0.30 -0.07 0.00 1.55 0.00 0.00 36.73 38.55 1xeb h TYR 19 CO -0.05 -0.39 0.30 0.00 -1.32 0.00 0.00 178.16 176.70 1xeb h ALA 20 N 0.09 0.86 -0.38 1.82 0.00 -0.42 0.26 119.26 121.49 1xeb h ALA 20 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xeb h ALA 20 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xeb h ALA 20 CO -0.09 -0.09 -0.08 1.37 0.00 0.00 0.00 179.25 180.36 1xeb h LEU 21 N 0.54 0.63 -0.28 0.00 8.10 -0.68 1.00 115.31 124.62 1xeb h LEU 21 Ca 0.31 -0.17 -0.16 0.00 0.11 0.00 0.00 57.88 57.98 1xeb h LEU 21 Cb 0.31 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 1xeb h LEU 21 CO -0.25 0.76 -0.75 -0.07 -4.11 0.00 0.00 178.44 174.02 1xeb h LEU 22 N 0.60 0.00 -0.12 0.17 3.38 -0.72 -2.09 115.31 116.54 1xeb h LEU 22 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xeb h LEU 22 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xeb h LEU 22 CO 0.03 0.75 0.02 -0.61 0.09 0.00 0.00 178.44 178.72 1xeb h GLN 23 N 0.00 0.20 -0.33 1.13 -0.00 0.49 -0.60 115.11 116.00 1xeb h GLN 23 Ca -0.01 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.46 1xeb h GLN 23 Cb 1.44 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.89 1xeb h GLN 23 CO 0.10 0.39 -0.32 1.25 0.00 0.00 0.00 178.83 180.25 1xeb h LEU 24 N -0.02 0.74 -0.66 -2.39 5.85 -0.85 -1.59 115.31 116.39 1xeb h LEU 24 Ca 0.04 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1xeb h LEU 24 Cb 0.29 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1xeb h LEU 24 CO 0.00 1.01 0.14 0.03 -0.34 0.00 0.00 178.44 179.28 1xeb h ARG 25 N 0.60 1.07 -0.41 1.25 3.08 -1.23 -2.58 114.38 116.17 1xeb h ARG 25 Ca 0.07 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 1xeb h ARG 25 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1xeb h ARG 25 CO 0.07 0.97 -0.29 1.15 -1.07 0.00 0.00 179.97 180.80 1xeb h THR 26 N 0.99 1.27 -0.92 2.04 2.02 -1.03 -0.88 112.91 116.41 1xeb h THR 26 Ca 0.20 -1.46 0.11 0.00 0.77 0.00 0.00 66.41 66.04 1xeb h THR 26 Cb 0.39 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 1xeb h THR 26 CO 0.01 0.49 0.59 -0.08 0.37 0.00 0.00 175.52 176.90 1xeb h GLU 27 N 0.74 0.85 0.00 6.66 4.81 -1.03 0.18 114.58 126.78 1xeb h GLU 27 Ca 0.08 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 1xeb h GLU 27 Cb 0.88 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1xeb h GLU 27 CO 0.08 0.56 -1.50 0.28 -0.73 0.00 0.00 179.01 177.70 1xeb n VAL 28 N -4.56 1.50 0.17 0.32 0.31 -0.99 -0.98 118.33 114.10 1xeb n VAL 28 Ca 0.16 -0.06 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1xeb n VAL 28 Cb 0.35 -2.15 0.28 0.00 -0.91 0.00 0.00 33.84 31.41 1xeb n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1xeb h PHE 29 N -1.00 0.00 0.00 3.52 0.05 -1.26 -0.91 116.94 117.34 1xeb h PHE 29 Ca -0.30 0.00 -0.46 0.00 3.82 0.00 0.00 57.97 61.03 1xeb h PHE 29 Cb 1.18 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 39.06 1xeb h PHE 29 CO -0.19 0.46 -2.51 0.28 -0.18 0.00 0.00 178.31 176.16 1xeb n VAL 30 N -3.64 1.51 -0.02 -0.55 0.31 -0.62 -3.89 118.33 111.43 1xeb n VAL 30 Ca -0.01 -0.37 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1xeb n VAL 30 Cb 0.54 -1.89 -0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.99 0.00 0.00 2.52 2.07 -1.08 -1.93 116.25 116.84 1xeb h VAL 31 Ca -0.69 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1xeb h VAL 31 Cb 1.60 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1xeb h VAL 31 CO -0.42 0.00 -0.10 1.05 0.02 0.00 0.00 177.57 178.13 1xeb h GLU 32 N -0.35 0.00 -0.02 1.57 4.11 -1.08 -1.53 114.58 117.29 1xeb h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xeb h GLU 32 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xeb h GLU 32 CO 0.00 0.10 -0.12 1.04 0.07 0.00 0.00 179.01 180.10 1xeb n GLN 33 N -3.62 1.58 -3.56 1.06 6.02 -0.35 -4.96 117.38 113.55 1xeb n GLN 33 Ca -0.02 -1.09 -0.26 0.00 -0.01 0.00 0.00 57.00 55.62 1xeb n GLN 33 Cb 0.22 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.03 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 0.24 -5.33 -3.89 -1.09 5.02 -0.58 -4.97 118.16 107.57 1xeb n LYS 34 Ca 0.15 0.67 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 1xeb n LYS 34 Cb 0.43 -5.55 -0.13 0.00 -0.02 0.00 0.00 35.03 29.75 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 4.44 2.79 -4.26 0.00 -0.04 -1.26 -4.24 135.00 132.42 1xeb n PRO 36 Ca 0.00 -2.73 -0.30 0.00 -0.04 0.00 0.00 63.50 60.43 1xeb n PRO 36 Cb 0.42 -3.34 -0.03 0.00 -0.04 0.00 0.00 33.50 30.51 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 3.99 1.63 -1.17 0.54 1.13 -1.26 -5.04 117.35 117.17 1xeb s TYR 37 Ca 0.51 -0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 55.06 1xeb s TYR 37 Cb 0.10 -1.77 0.08 0.00 -1.10 0.00 0.00 41.96 39.27 1xeb s TYR 37 CO -0.01 -0.22 1.56 -1.14 -2.51 0.00 0.00 175.55 173.23 1xeb s GLN 38 N -4.14 3.84 0.24 -3.49 2.00 -1.26 -4.79 119.66 112.06 1xeb s GLN 38 Ca 0.20 -1.74 -0.06 0.00 -2.00 0.00 0.00 55.36 51.76 1xeb s GLN 38 Cb -0.01 -5.38 0.34 0.00 0.80 0.00 0.00 33.01 28.75 1xeb s GLN 38 CO 0.13 -2.16 1.84 1.49 -0.50 0.00 0.00 175.29 176.09 1xeb h GLU 39 N 8.38 0.89 -5.36 1.67 4.57 -1.96 -3.21 114.58 119.55 1xeb h GLU 39 Ca 0.33 -0.05 -0.69 0.00 -1.18 0.00 0.00 59.36 57.76 1xeb h GLU 39 Cb 0.93 -0.20 -0.13 0.00 -0.16 0.00 0.00 28.75 29.19 1xeb h GLU 39 CO 1.40 0.59 1.62 0.08 -1.18 0.00 0.00 179.01 181.51 1xeb s VAL 40 N -6.06 4.52 -2.13 0.32 1.01 -1.26 -4.82 120.40 111.98 1xeb s VAL 40 Ca -0.13 -2.00 0.31 0.00 0.00 0.00 0.00 61.98 60.16 1xeb s VAL 40 Cb 0.18 -5.02 0.79 0.00 0.00 0.00 0.00 36.38 32.33 1xeb s VAL 40 CO 0.79 -1.80 2.07 -0.90 0.00 0.00 0.00 175.10 175.26 1xeb n ASP 41 N 7.18 0.46 0.00 3.32 3.85 -1.22 -4.93 116.55 125.21 1xeb n ASP 41 Ca 0.39 -1.13 0.00 0.00 -0.71 0.00 0.00 54.79 53.34 1xeb n ASP 41 Cb 0.46 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 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 1.06 2.13 0.50 6.12 0.00 -1.26 -4.87 105.19 108.87 1xeb n GLY 42 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 1.45 -0.00 0.99 4.77 -1.26 -4.22 117.00 118.73 1xeb n LEU 43 Ca 0.00 -0.71 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 1xeb n LEU 43 Cb 0.00 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1xeb n LEU 43 CO 0.00 0.35 -0.51 0.44 -1.33 0.00 0.00 177.39 176.35 1xeb h ASP 44 N 1.64 0.10 -0.48 -1.43 3.45 -1.99 -3.39 116.42 114.32 1xeb h ASP 44 Ca 0.00 -0.20 -0.33 0.00 0.43 0.00 0.00 57.03 56.93 1xeb h ASP 44 Cb 0.37 -0.03 -0.24 0.00 -0.56 0.00 0.00 39.33 38.87 1xeb h ASP 44 CO 0.00 1.17 -0.47 0.18 -1.57 0.00 0.00 179.24 178.56 1xeb n LEU 45 N -3.17 4.34 -4.53 1.55 4.77 -1.26 -4.70 117.00 114.01 1xeb n LEU 45 Ca -0.18 -4.30 -0.24 0.00 -0.03 0.00 0.00 56.01 51.26 1xeb n LEU 45 Cb 1.04 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1xeb n LEU 45 CO 0.45 1.71 -0.43 0.68 -1.33 0.00 0.00 177.39 178.47 1xeb s VAL 46 N -3.97 2.86 0.00 4.08 -7.23 -1.26 -5.00 120.40 109.88 1xeb s VAL 46 Ca 0.47 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1xeb s VAL 46 Cb 0.41 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1xeb s VAL 46 CO -0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1xeb n GLY 47 N -0.52 2.02 2.29 2.32 0.00 -1.26 -2.39 105.19 107.64 1xeb n GLY 47 Ca -0.07 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 1.95 4.17 -4.77 1.61 8.00 -1.26 -4.96 116.55 121.29 1xeb n ASP 48 Ca 0.00 -3.43 -0.38 0.00 0.71 0.00 0.00 54.79 51.69 1xeb n ASP 48 Cb 0.00 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1xeb n ASP 48 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xeb s THR 49 N -4.62 2.96 0.23 -3.53 -4.23 -1.01 -4.21 115.64 101.23 1xeb s THR 49 Ca 0.45 0.78 0.10 0.00 -1.18 0.00 0.00 61.69 61.84 1xeb s THR 49 Cb 0.40 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1xeb s THR 49 CO -0.03 0.05 -0.14 -1.00 -0.54 0.00 0.00 174.62 172.96 1xeb s HIS 50 N -1.42 2.48 -0.18 3.99 3.76 0.32 -2.33 115.29 121.91 1xeb s HIS 50 Ca 0.60 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1xeb s HIS 50 Cb -0.32 -1.16 0.04 0.00 1.11 0.00 0.00 32.58 32.25 1xeb s HIS 50 CO 0.40 0.59 -0.11 -1.01 -0.85 0.00 0.00 174.74 173.75 1xeb s HIS 51 N -2.04 2.30 0.28 1.40 3.76 0.19 -0.67 115.29 120.51 1xeb s HIS 51 Ca 0.27 -1.44 -0.01 0.00 -0.15 0.00 0.00 55.06 53.72 1xeb s HIS 51 Cb -0.07 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 1xeb s HIS 51 CO 0.15 -0.71 0.49 -1.17 -0.85 0.00 0.00 174.74 172.64 1xeb s LEU 52 N 1.44 4.11 -0.30 0.89 2.96 -0.82 -1.63 118.68 125.32 1xeb s LEU 52 Ca 0.01 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 1xeb s LEU 52 Cb -0.15 -3.30 0.18 0.00 0.50 0.00 0.00 46.19 43.42 1xeb s LEU 52 CO -0.09 -0.17 0.94 0.00 -1.32 0.00 0.00 176.35 175.71 1xeb s ALA 54 N -2.09 -3.31 0.24 5.97 0.00 -0.78 -2.32 121.76 119.46 1xeb s ALA 54 Ca 0.40 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.86 1xeb s ALA 54 Cb -0.10 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 1xeb s ALA 54 CO 0.32 -1.61 0.29 -1.58 0.00 0.00 0.00 175.76 173.17 1xeb s TRP 55 N 2.93 3.32 -0.30 0.00 0.52 0.68 -1.18 118.94 124.91 1xeb s TRP 55 Ca 0.09 -0.04 -0.17 0.00 0.02 0.00 0.00 56.10 56.00 1xeb s TRP 55 Cb -0.09 -1.51 0.18 0.00 -1.15 0.00 0.00 33.47 30.89 1xeb s TRP 55 CO -0.16 0.48 1.11 0.50 0.02 0.00 0.00 176.95 178.89 1xeb s ARG 56 N -3.85 0.18 -1.29 4.98 3.00 -0.68 -1.45 118.95 119.84 1xeb s ARG 56 Ca 0.33 0.46 -0.03 0.00 -1.00 0.00 0.00 55.73 55.49 1xeb s ARG 56 Cb -0.09 0.28 0.00 0.00 0.00 0.00 0.00 34.95 35.14 1xeb s ARG 56 CO 0.27 -0.07 0.45 -0.25 0.00 0.00 0.00 175.30 175.70 1xeb n ASP 57 N 4.83 -5.27 0.00 -2.12 9.92 -1.26 -1.77 116.55 120.88 1xeb n ASP 57 Ca -0.08 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1xeb n ASP 57 Cb 0.54 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.88 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xeb n GLY 58 N -1.35 0.49 3.58 0.44 0.00 -1.26 -4.98 105.19 102.11 1xeb n GLY 58 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.54 2.61 -0.14 1.61 -1.52 -0.73 -5.10 119.66 115.85 1xeb s GLN 59 Ca 0.00 -0.66 -0.24 0.00 -1.95 0.00 0.00 55.36 52.51 1xeb s GLN 59 Cb 0.00 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.25 1xeb s GLN 59 CO 0.00 0.63 0.76 -1.17 -0.25 0.00 0.00 175.29 175.25 1xeb s LEU 60 N -1.13 4.21 -0.15 2.90 1.98 -1.26 -1.68 118.68 123.55 1xeb s LEU 60 Ca 0.15 1.12 0.08 0.00 -2.89 0.00 0.00 54.13 52.58 1xeb s LEU 60 Cb -0.11 -3.13 -0.14 0.00 0.66 0.00 0.00 46.19 43.47 1xeb s LEU 60 CO 0.04 -0.29 -0.04 0.18 -1.89 0.00 0.00 176.35 174.35 1xeb n LEU 61 N 4.77 1.26 -4.08 -0.68 4.77 -0.32 -4.80 117.00 117.92 1xeb n LEU 61 Ca 0.02 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1xeb n LEU 61 Cb 0.50 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1xeb n LEU 61 CO 0.47 0.53 -0.39 0.00 -1.33 0.00 0.00 177.39 176.67 1xeb s ALA 62 N -2.34 0.61 0.14 -1.18 0.00 -1.21 0.12 121.76 117.92 1xeb s ALA 62 Ca -0.14 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 1xeb s ALA 62 Cb 0.05 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1xeb s ALA 62 CO 0.49 -0.12 0.75 -0.47 0.00 0.00 0.00 175.76 176.41 1xeb s TYR 63 N -2.14 -0.36 -0.18 0.00 5.04 0.48 -1.87 117.35 118.31 1xeb s TYR 63 Ca -0.04 0.10 -0.31 0.00 -2.44 0.00 0.00 57.07 54.39 1xeb s TYR 63 Cb -0.05 0.60 0.14 0.00 0.35 0.00 0.00 41.96 43.00 1xeb s TYR 63 CO -0.02 -0.85 1.11 -0.48 -1.34 0.00 0.00 175.55 173.97 1xeb s LEU 64 N -2.75 -0.25 0.02 6.97 0.05 -0.98 -0.52 118.68 121.22 1xeb s LEU 64 Ca 0.06 0.21 0.03 0.00 0.05 0.00 0.00 54.13 54.47 1xeb s LEU 64 Cb -0.02 1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 45.69 1xeb s LEU 64 CO -0.06 -0.28 -0.02 -0.60 -0.55 0.00 0.00 176.35 174.84 1xeb s ARG 65 N -1.51 2.65 -0.26 1.48 3.52 0.14 -1.95 118.95 123.03 1xeb s ARG 65 Ca 0.03 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1xeb s ARG 65 Cb -0.01 -2.59 0.07 0.00 -1.56 0.00 0.00 34.95 30.87 1xeb s ARG 65 CO -0.03 0.60 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.51 1xeb s LEU 66 N -1.66 2.98 -0.14 -0.88 1.43 0.15 -1.40 118.68 119.15 1xeb s LEU 66 Ca 0.20 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.74 1xeb s LEU 66 Cb -0.11 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1xeb s LEU 66 CO 0.11 -0.26 0.48 -0.76 0.23 0.00 0.00 176.35 176.15 1xeb s LEU 67 N 1.30 4.24 0.66 1.79 1.02 -0.40 0.12 118.68 127.41 1xeb s LEU 67 Ca -0.03 0.76 -0.14 0.00 0.02 0.00 0.00 54.13 54.74 1xeb s LEU 67 Cb -0.19 -2.68 -0.00 0.00 0.02 0.00 0.00 46.19 43.34 1xeb s LEU 67 CO -0.08 -0.05 1.08 1.51 0.02 0.00 0.00 176.35 178.84 1xeb s ASP 68 N 0.78 5.24 0.47 2.29 -4.77 -1.26 -1.23 116.67 118.19 1xeb s ASP 68 Ca 0.25 1.86 0.26 0.00 -3.30 0.00 0.00 52.55 51.62 1xeb s ASP 68 Cb -0.15 -2.53 0.84 0.00 -1.09 0.00 0.00 42.92 39.99 1xeb s ASP 68 CO 0.10 -1.54 1.79 1.55 0.70 0.00 0.00 175.17 177.77 1xeb h PRO 69 N -0.15 0.00 -0.09 2.11 0.13 -1.85 -3.13 132.00 129.01 1xeb h PRO 69 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1xeb h PRO 69 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xeb h PRO 69 CO 0.55 0.11 -0.78 -0.39 -0.23 0.00 0.00 178.00 177.26 1xeb h VAL 70 N 0.00 1.34 0.00 1.56 -1.51 -1.94 0.40 116.25 116.10 1xeb h VAL 70 Ca -0.00 -2.12 0.00 0.00 -1.23 0.00 0.00 66.70 63.35 1xeb h VAL 70 Cb 0.79 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1xeb h VAL 70 CO 0.01 0.65 -0.82 -1.14 -1.23 0.00 0.00 177.57 175.04 1xeb n ARG 71 N -3.86 0.35 -3.26 5.19 0.63 -1.25 -4.62 116.66 109.84 1xeb n ARG 71 Ca -0.06 0.07 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 1xeb n ARG 71 Cb 0.74 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.90 1xeb n ARG 71 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1xeb n HIS 72 N -2.17 1.26 -3.55 -0.14 8.25 -1.18 -4.99 115.22 112.69 1xeb n HIS 72 Ca 0.02 -3.80 -0.19 0.00 -0.26 0.00 0.00 57.72 53.49 1xeb n HIS 72 Cb 0.46 -0.43 0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 1.08 -5.90 -4.54 -0.41 4.71 -1.25 -3.68 120.64 110.65 1xeb n GLU 73 Ca 0.25 0.75 -0.43 0.00 -0.01 0.00 0.00 57.16 57.72 1xeb n GLU 73 Cb 0.49 -5.57 -0.08 0.00 -1.01 0.00 0.00 31.44 25.27 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 -1.33 -0.39 2.97 0.62 0.00 0.14 -4.93 105.19 102.27 1xeb n GLY 74 Ca -0.29 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -7.24 0.15 -0.15 1.61 -0.21 -1.24 -4.73 119.66 107.84 1xeb s GLN 75 Ca 0.81 0.02 -0.19 0.00 0.02 0.00 0.00 55.36 56.02 1xeb s GLN 75 Cb -0.47 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 1xeb s GLN 75 CO 1.03 -0.02 0.55 0.54 -2.12 0.00 0.00 175.29 175.26 1xeb s VAL 76 N -0.18 5.12 -0.15 1.09 0.11 -0.79 -3.15 120.40 122.45 1xeb s VAL 76 Ca -0.02 1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 60.05 1xeb s VAL 76 Cb -0.02 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1xeb s VAL 76 CO 0.00 0.24 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.29 1xeb s VAL 77 N 1.14 4.00 -0.22 2.04 1.01 -0.37 -0.35 120.40 127.66 1xeb s VAL 77 Ca 0.28 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1xeb s VAL 77 Cb -0.16 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1xeb s VAL 77 CO 0.11 0.51 0.13 -0.63 0.00 0.00 0.00 175.10 175.22 1xeb s ILE 78 N 0.18 5.29 0.27 2.22 1.01 -0.09 -1.27 121.20 128.81 1xeb s ILE 78 Ca -0.01 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 1xeb s ILE 78 Cb -0.14 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.92 1xeb s ILE 78 CO 0.03 0.40 0.42 0.61 0.00 0.00 0.00 174.94 176.40 1xeb n GLY 79 N 3.90 2.07 4.17 6.18 0.00 -0.49 -4.47 105.19 116.54 1xeb n GLY 79 Ca -0.16 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.42 -2.86 -2.18 1.61 5.12 -1.26 0.25 116.66 116.92 1xeb n ARG 80 Ca -0.01 0.34 -0.43 0.00 -1.93 0.00 0.00 57.85 55.82 1xeb n ARG 80 Cb 0.44 -5.06 -0.02 0.00 -1.16 0.00 0.00 32.46 26.66 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 -3.22 3.77 0.02 1.55 1.01 -1.26 -3.80 120.40 118.47 1xeb s VAL 81 Ca 0.72 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.51 1xeb s VAL 81 Cb -0.40 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1xeb s VAL 81 CO 0.89 -0.40 0.04 0.54 0.00 0.00 0.00 175.10 176.17 1xeb s VAL 82 N 5.32 0.12 -0.02 2.92 0.11 0.32 -4.99 120.40 124.19 1xeb s VAL 82 Ca 0.69 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1xeb s VAL 82 Cb -0.22 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1xeb s VAL 82 CO 0.29 -0.52 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.57 1xeb s SER 83 N -1.68 0.56 0.44 3.54 1.04 -1.26 -0.39 113.70 115.94 1xeb s SER 83 Ca -0.12 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 1xeb s SER 83 Cb -0.06 -0.18 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 1xeb s SER 83 CO -0.02 -0.01 1.28 -0.55 0.98 0.00 0.00 173.24 174.93 1xeb s SER 84 N 0.42 6.11 0.19 7.02 0.15 0.33 -4.94 113.70 122.98 1xeb s SER 84 Ca -0.04 2.60 -0.16 0.00 0.70 0.00 0.00 55.95 59.04 1xeb s SER 84 Cb -0.08 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1xeb s SER 84 CO -0.01 -0.98 1.64 0.28 1.20 0.00 0.00 173.24 175.38 1xeb h SER 85 N 2.35 -0.55 0.00 5.45 0.02 -1.98 -0.51 113.55 118.33 1xeb h SER 85 Ca -0.50 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1xeb h SER 85 Cb 1.25 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1xeb h SER 85 CO 0.61 -0.19 0.16 0.00 -1.14 0.00 0.00 176.83 176.27 1xeb n ALA 86 N -2.90 0.67 -3.08 3.77 0.00 -1.26 -2.91 120.51 114.80 1xeb n ALA 86 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 1xeb n ALA 86 Cb 0.28 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1xeb n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xeb n ALA 87 N -1.22 1.37 -3.91 0.00 0.00 -0.20 -5.23 120.51 111.33 1xeb n ALA 87 Ca 0.00 -2.91 -0.30 0.00 0.00 0.00 0.00 53.44 50.23 1xeb n ALA 87 Cb 0.16 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.35 1.78 -0.36 0.00 0.52 -1.15 -4.66 118.95 113.74 1xeb s ARG 88 Ca 0.35 -2.41 -0.04 0.00 -0.52 0.00 0.00 55.73 53.11 1xeb s ARG 88 Cb 0.28 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1xeb s ARG 88 CO -0.10 -1.10 2.88 0.41 0.02 0.00 0.00 175.30 177.41 1xeb n GLY 91 N 3.32 4.07 0.16 -3.53 0.00 -1.26 -5.12 105.19 102.83 1xeb n GLY 91 Ca 0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 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 4.04 0.83 -1.36 0.99 3.38 -2.00 -3.13 115.31 118.07 1xeb h LEU 92 Ca 0.35 -0.80 0.28 0.00 0.09 0.00 0.00 57.88 57.80 1xeb h LEU 92 Cb 0.88 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1xeb h LEU 92 CO 0.74 1.60 0.68 1.23 0.09 0.00 0.00 178.44 182.79 1xeb h GLY 93 N 0.40 1.24 1.19 0.83 0.00 -1.98 0.31 103.07 105.07 1xeb h GLY 93 Ca -0.20 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 1xeb h GLY 93 CO 0.24 -0.16 -0.73 0.84 0.00 0.00 0.00 176.54 176.73 1xeb h HIS 94 N 0.37 1.07 0.00 5.60 -0.00 -2.02 -3.21 115.15 116.96 1xeb h HIS 94 Ca 0.61 -0.45 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1xeb h HIS 94 Cb 1.59 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.81 1xeb h HIS 94 CO -0.00 1.28 -0.46 1.96 -0.00 0.00 0.00 177.93 180.71 1xeb h GLN 95 N 0.57 0.00 -0.02 5.26 4.20 -0.45 -2.78 115.11 121.88 1xeb h GLN 95 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xeb h GLN 95 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1xeb h GLN 95 CO 0.15 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 180.05 1xeb n LEU 96 N -3.99 0.02 0.00 1.46 4.77 0.25 -1.72 117.00 117.79 1xeb n LEU 96 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1xeb n LEU 96 Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1xeb n LEU 96 CO 0.40 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.68 1xeb n GLU 98 N -0.39 0.00 0.23 3.23 2.13 -1.05 -1.39 120.64 123.39 1xeb n GLU 98 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1xeb n GLU 98 Cb 0.01 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.16 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 0.00 0.00 5.31 3.08 -1.59 -2.81 114.38 118.37 1xeb h ARG 99 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 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 0.19 -0.09 0.00 -1.07 0.00 0.00 179.97 179.00 1xeb h ALA 100 N 1.81 0.02 -0.21 0.04 0.00 -1.47 -2.67 119.26 116.78 1xeb h ALA 100 Ca -0.00 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1xeb h ALA 100 Cb 0.78 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xeb h ALA 100 CO 0.02 0.05 0.18 -0.07 0.00 0.00 0.00 179.25 179.43 1xeb h LEU 101 N -1.00 0.00 -0.51 0.00 4.07 -1.82 0.32 115.31 116.38 1xeb h LEU 101 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 1xeb h LEU 101 Cb 0.96 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1xeb h LEU 101 CO -0.01 0.00 -0.64 -0.61 -1.08 0.00 0.00 178.44 176.10 1xeb h GLN 102 N 0.00 0.41 0.01 1.13 4.15 -1.53 -1.72 115.11 117.57 1xeb h GLN 102 Ca 0.10 -0.29 -0.22 0.00 0.77 0.00 0.00 58.65 59.00 1xeb h GLN 102 Cb 0.45 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xeb h GLN 102 CO -0.00 0.91 -0.95 0.00 -1.93 0.00 0.00 178.83 176.86 1xeb h ALA 103 N 1.02 0.38 -0.11 3.38 0.00 -0.20 -2.73 119.26 120.99 1xeb h ALA 103 Ca -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1xeb h ALA 103 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1xeb h ALA 103 CO 0.11 0.86 -0.09 0.00 0.00 0.00 0.00 179.25 180.13 1xeb h ALA 104 N 0.79 1.64 -0.05 0.00 0.00 -0.38 -1.30 119.26 119.96 1xeb h ALA 104 Ca -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xeb h ALA 104 Cb 1.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1xeb h ALA 104 CO 0.16 0.27 0.00 1.49 0.00 0.00 0.00 179.25 181.17 1xeb h GLU 105 N 0.17 0.08 0.42 0.00 4.57 -1.03 -0.76 114.58 118.03 1xeb h GLU 105 Ca 0.04 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1xeb h GLU 105 Cb 0.27 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1xeb h GLU 105 CO 0.01 0.36 -0.20 0.00 -1.18 0.00 0.00 179.01 178.01 1xeb h ARG 106 N -0.20 -0.54 -0.50 1.92 3.08 -1.27 -3.05 114.38 113.83 1xeb h ARG 106 Ca 0.01 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1xeb h ARG 106 Cb 0.32 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1xeb h ARG 106 CO 0.00 -0.36 0.27 -0.07 -1.07 0.00 0.00 179.97 178.74 1xeb h LEU 107 N -0.90 0.41 -5.61 3.04 3.38 -1.37 -3.35 115.31 110.92 1xeb h LEU 107 Ca -0.06 0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.44 1xeb h LEU 107 Cb 0.43 -0.06 -0.41 0.00 0.09 0.00 0.00 40.66 40.71 1xeb h LEU 107 CO 0.09 0.29 -1.06 0.79 0.09 0.00 0.00 178.44 178.64 1xeb n TRP 108 N -4.85 1.31 -1.33 1.13 8.01 -0.30 -5.08 117.44 116.33 1xeb n TRP 108 Ca 0.04 -3.65 -0.52 0.00 -1.31 0.00 0.00 57.50 52.06 1xeb n TRP 108 Cb 0.11 -0.41 -0.07 0.00 -2.01 0.00 0.00 31.31 28.93 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 0.07 0.23 0.00 -0.99 7.94 -1.15 -0.82 117.00 122.29 1xeb n LEU 109 Ca 0.24 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1xeb n LEU 109 Cb 0.63 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1xeb n LEU 109 CO 0.25 -1.42 0.00 0.47 -1.11 0.00 0.00 177.39 175.58 1xeb n ASP 110 N 1.77 -5.39 -4.66 1.96 10.43 -1.26 -4.95 116.55 114.44 1xeb n ASP 110 Ca 0.19 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.14 1xeb n ASP 110 Cb 0.04 -3.17 -0.05 0.00 1.84 0.00 0.00 41.12 39.78 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 -1.10 4.92 0.52 -3.53 2.01 0.00 -5.02 115.64 113.45 1xeb s THR 111 Ca 0.00 1.48 -0.22 0.00 0.31 0.00 0.00 61.69 63.27 1xeb s THR 111 Cb 0.00 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1xeb s THR 111 CO 0.00 0.04 1.18 -0.81 -0.69 0.00 0.00 174.62 174.34 1xeb n PRO 112 N 5.25 1.45 -4.37 4.92 -0.04 -1.25 -4.72 135.00 136.23 1xeb n PRO 112 Ca 0.03 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.70 1xeb n PRO 112 Cb 0.49 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1xeb n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xeb s VAL 113 N -1.34 3.89 0.08 0.52 1.01 -0.23 -1.89 120.40 122.44 1xeb s VAL 113 Ca 0.70 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1xeb s VAL 113 Cb -0.45 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1xeb s VAL 113 CO 0.51 0.39 -0.08 -0.47 0.00 0.00 0.00 175.10 175.45 1xeb s TYR 114 N -1.04 0.89 -0.08 5.22 6.14 0.52 -0.28 117.35 128.72 1xeb s TYR 114 Ca 0.18 -0.73 -0.30 0.00 0.64 0.00 0.00 57.07 56.87 1xeb s TYR 114 Cb -0.11 -0.51 0.10 0.00 0.42 0.00 0.00 41.96 41.86 1xeb s TYR 114 CO 0.09 -0.08 0.84 -0.48 0.64 0.00 0.00 175.55 176.55 1xeb s LEU 115 N -2.48 -0.49 -0.18 6.97 -0.00 -1.26 -0.92 118.68 120.32 1xeb s LEU 115 Ca 0.04 0.45 -0.10 0.00 -0.00 0.00 0.00 54.13 54.52 1xeb s LEU 115 Cb -0.01 2.18 -0.05 0.00 -0.00 0.00 0.00 46.19 48.31 1xeb s LEU 115 CO -0.02 -0.52 0.15 -0.55 -0.00 0.00 0.00 176.35 175.41 1xeb s SER 116 N -1.41 6.26 0.21 1.48 0.15 -1.26 -4.57 113.70 114.55 1xeb s SER 116 Ca -0.04 0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 1xeb s SER 116 Cb -0.00 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1xeb s SER 116 CO 0.03 0.22 0.19 0.00 1.20 0.00 0.00 173.24 174.88 1xeb s ALA 117 N 0.10 0.89 0.17 5.45 0.00 -0.34 -4.94 121.76 123.09 1xeb s ALA 117 Ca 0.10 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1xeb s ALA 117 Cb -0.11 1.31 -0.07 0.00 0.00 0.00 0.00 23.12 24.25 1xeb s ALA 117 CO -0.00 -0.64 1.09 -0.65 0.00 0.00 0.00 175.76 175.56 1xeb s GLN 118 N -4.13 4.59 0.66 0.00 -0.21 -1.26 0.19 119.66 119.50 1xeb s GLN 118 Ca 0.35 1.70 0.35 0.00 0.02 0.00 0.00 55.36 57.79 1xeb s GLN 118 Cb 0.06 -3.29 1.92 0.00 1.00 0.00 0.00 33.01 32.70 1xeb s GLN 118 CO 0.11 0.07 2.08 0.00 -2.12 0.00 0.00 175.29 175.43 1xeb h ALA 119 N 5.22 1.21 0.00 6.09 0.00 -1.57 -2.81 119.26 127.40 1xeb h ALA 119 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xeb h ALA 119 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xeb h ALA 119 CO 0.73 -0.21 -0.01 1.12 0.00 0.00 0.00 179.25 180.88 1xeb h HIS 120 N 0.00 0.01 -0.22 0.00 2.07 -1.91 -3.25 115.15 111.85 1xeb h HIS 120 Ca 0.00 -0.01 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 1xeb h HIS 120 Cb 0.42 -0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.33 1xeb h HIS 120 CO 0.00 0.84 0.19 1.47 -3.07 0.00 0.00 177.93 177.36 1xeb n LEU 121 N -4.68 5.74 -0.02 6.12 -0.00 -1.06 -4.25 117.00 118.86 1xeb n LEU 121 Ca -0.10 -2.77 -0.13 0.00 -0.00 0.00 0.00 56.01 53.02 1xeb n LEU 121 Cb 0.41 -1.07 -0.10 0.00 -0.00 0.00 0.00 43.42 42.66 1xeb n LEU 121 CO 0.34 1.08 0.59 -0.61 -0.00 0.00 0.00 177.39 178.80 1xeb h GLN 122 N 1.16 -0.01 -0.78 1.47 4.15 -1.61 -3.14 115.11 116.34 1xeb h GLN 122 Ca 0.13 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.63 1xeb h GLN 122 Cb 0.99 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 1xeb h GLN 122 CO 0.34 0.55 0.51 0.00 -1.93 0.00 0.00 178.83 178.30 1xeb h ALA 123 N 0.41 1.69 -0.58 3.38 0.00 -1.87 -1.80 119.26 120.50 1xeb h ALA 123 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xeb h ALA 123 Cb 0.56 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xeb h ALA 123 CO 0.00 0.17 0.32 -0.92 0.00 0.00 0.00 179.25 178.82 1xeb h TYR 124 N 0.80 0.59 0.00 0.00 5.03 -1.85 -0.39 116.97 121.14 1xeb h TYR 124 Ca 0.35 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1xeb h TYR 124 Cb 0.32 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1xeb h TYR 124 CO -0.00 0.30 0.00 1.88 -1.32 0.00 0.00 178.16 179.02 1xeb h TYR 125 N 0.61 0.00 0.00 -3.82 0.05 -1.30 -1.98 116.97 110.53 1xeb h TYR 125 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1xeb h TYR 125 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1xeb h TYR 125 CO -0.08 0.00 0.00 0.78 -1.05 0.00 0.00 178.16 177.81 1xeb h GLY 126 N 3.42 0.00 2.00 3.88 0.00 -0.49 -2.45 103.07 109.44 1xeb h GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xeb h GLY 126 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 1xeb h ARG 127 N 0.00 0.00 0.00 4.80 3.08 -0.97 -2.84 114.38 118.45 1xeb h ARG 127 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xeb h ARG 127 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1xeb h ARG 127 CO 0.00 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.28 1xeb n TYR 128 N -2.41 0.00 -0.73 3.04 4.01 -0.95 -4.99 117.16 115.14 1xeb n TYR 128 Ca 0.01 -1.21 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 1xeb n TYR 128 Cb 0.19 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.21 0.61 3.78 2.72 0.00 -1.07 -5.00 105.19 105.02 1xeb n GLY 129 Ca 0.17 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.61 0.02 1.61 0.08 -1.03 -4.26 117.98 116.01 1xeb s PHE 130 Ca 0.00 0.91 0.07 0.00 0.12 0.00 0.00 56.93 58.03 1xeb s PHE 130 Cb 0.00 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1xeb s PHE 130 CO 0.00 0.40 -0.19 0.08 -0.10 0.00 0.00 175.22 175.41 1xeb s VAL 131 N -0.20 2.71 0.13 -0.44 1.01 -0.95 -4.08 120.40 118.57 1xeb s VAL 131 Ca 0.24 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1xeb s VAL 131 Cb -0.16 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1xeb s VAL 131 CO 0.11 0.40 1.21 0.00 0.00 0.00 0.00 175.10 176.82 1xeb s ALA 132 N -0.86 3.43 0.00 5.51 0.00 -1.26 -1.86 121.76 126.72 1xeb s ALA 132 Ca 0.13 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1xeb s ALA 132 Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1xeb s ALA 132 CO 0.04 -0.41 0.12 1.33 0.00 0.00 0.00 175.76 176.83 1xeb n VAL 133 N 3.21 0.00 -4.55 0.00 0.24 -0.32 -4.96 118.33 111.95 1xeb n VAL 133 Ca 0.07 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.56 1xeb n VAL 133 Cb 0.45 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.76 1.31 0.76 3.34 -4.23 -1.20 -5.02 115.64 109.84 1xeb s THR 134 Ca 0.00 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1xeb s THR 134 Cb 0.00 -2.19 0.11 0.00 1.34 0.00 0.00 72.50 71.77 1xeb s THR 134 CO 0.00 0.00 1.06 -0.70 -0.54 0.00 0.00 174.62 174.44 1xeb s GLU 135 N -3.97 1.68 0.12 3.99 2.56 -1.26 -4.75 118.70 117.07 1xeb s GLU 135 Ca 0.13 -0.63 -0.29 0.00 0.00 0.00 0.00 54.97 54.18 1xeb s GLU 135 Cb 0.01 -2.17 -0.06 0.00 2.00 0.00 0.00 34.13 33.90 1xeb s GLU 135 CO 0.08 -1.54 0.93 0.54 -0.56 0.00 0.00 175.26 174.70 1xeb s VAL 136 N -3.32 4.49 0.08 3.70 0.11 -1.26 -4.53 120.40 119.66 1xeb s VAL 136 Ca 0.65 2.01 -0.00 0.00 -2.93 0.00 0.00 61.98 61.71 1xeb s VAL 136 Cb -0.07 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.44 1xeb s VAL 136 CO 0.46 0.35 -0.03 -0.72 -3.33 0.00 0.00 175.10 171.82 1xeb s TYR 137 N -0.15 0.71 -0.19 1.54 -0.85 0.22 -4.95 117.35 113.68 1xeb s TYR 137 Ca 0.45 -1.04 -0.18 0.00 -0.52 0.00 0.00 57.07 55.78 1xeb s TYR 137 Cb -0.23 -0.45 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 1xeb s TYR 137 CO 0.29 -0.31 0.49 -0.51 -1.52 0.00 0.00 175.55 173.99 1xeb s LEU 138 N -2.98 4.17 -0.20 -3.49 1.02 -1.26 0.94 118.68 116.87 1xeb s LEU 138 Ca 0.11 0.67 -0.02 0.00 0.02 0.00 0.00 54.13 54.91 1xeb s LEU 138 Cb 0.07 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.61 1xeb s LEU 138 CO -0.06 -0.13 -0.10 -0.70 0.02 0.00 0.00 176.35 175.37 1xeb s GLU 139 N 1.42 3.24 -1.56 1.70 -6.30 -0.53 -4.63 118.70 112.04 1xeb s GLU 139 Ca 0.24 -0.70 -0.04 0.00 -2.50 0.00 0.00 54.97 51.97 1xeb s GLU 139 Cb -0.15 -2.83 0.04 0.00 0.00 0.00 0.00 34.13 31.18 1xeb s GLU 139 CO 0.09 -0.18 0.09 -0.25 0.02 0.00 0.00 175.26 175.04 1xeb n ASP 140 N 4.66 0.50 0.00 -1.70 9.92 -1.26 0.43 116.55 129.10 1xeb n ASP 140 Ca -0.19 -1.24 0.00 0.00 -0.53 0.00 0.00 54.79 52.83 1xeb n ASP 140 Cb 0.51 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1xeb n ASP 140 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xeb n ASP 141 N -2.74 0.00 -4.48 -2.24 2.03 -1.26 -4.99 116.55 102.87 1xeb n ASP 141 Ca -0.25 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.71 1xeb n ASP 141 Cb 0.64 -0.65 -0.12 0.00 -0.72 0.00 0.00 41.12 40.27 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xeb s ILE 142 N -2.70 4.15 -0.14 5.18 1.10 0.17 -5.01 121.20 123.94 1xeb s ILE 142 Ca 0.00 -0.25 -0.36 0.00 -0.51 0.00 0.00 60.65 59.54 1xeb s ILE 142 Cb 0.00 -2.89 -0.13 0.00 0.15 0.00 0.00 42.46 39.60 1xeb s ILE 142 CO 0.00 0.42 1.85 -0.81 -2.11 0.00 0.00 174.94 174.28 1xeb n PRO 143 N 4.26 1.90 -4.56 3.50 -0.04 -1.26 -1.45 135.00 137.35 1xeb n PRO 143 Ca -0.17 0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 63.73 1xeb n PRO 143 Cb 0.52 -2.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.39 1xeb n PRO 143 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xeb s HIS 144 N 3.94 1.96 -0.15 0.54 3.76 0.27 -1.70 115.29 123.90 1xeb s HIS 144 Ca 0.94 -1.03 -0.19 0.00 -0.15 0.00 0.00 55.06 54.64 1xeb s HIS 144 Cb -0.80 -1.38 0.05 0.00 1.11 0.00 0.00 32.58 31.56 1xeb s HIS 144 CO 0.55 0.01 0.50 -1.50 -0.85 0.00 0.00 174.74 173.46 1xeb s ILE 145 N -3.10 0.01 0.63 0.60 2.07 0.50 -0.61 121.20 121.30 1xeb s ILE 145 Ca 0.25 -0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.39 1xeb s ILE 145 Cb 0.05 -0.73 0.05 0.00 0.13 0.00 0.00 42.46 41.96 1xeb s ILE 145 CO 0.13 -0.04 0.91 -0.83 -1.91 0.00 0.00 174.94 173.20 1xeb s GLY 146 N -0.15 1.74 0.00 1.50 0.00 -1.26 -1.19 107.32 107.95 1xeb s GLY 146 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1xeb s GLY 146 CO 0.02 -0.73 0.00 -0.96 0.00 0.00 0.00 173.10 171.43 1xeb n ARG 148 N -2.66 0.00 -5.04 2.90 -4.01 -0.78 -1.17 116.66 105.90 1xeb n ARG 148 Ca 0.08 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 56.57 1xeb n ARG 148 Cb 0.60 0.00 -0.17 0.00 -3.04 0.00 0.00 32.46 29.85 1xeb n ARG 148 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 1xeb s ARG 149 N -1.75 3.02 0.00 2.89 3.52 0.61 -2.23 118.95 125.01 1xeb s ARG 149 Ca 0.00 -0.86 0.15 0.00 -0.13 0.00 0.00 55.73 54.89 1xeb s ARG 149 Cb 0.00 -2.33 0.91 0.00 -1.56 0.00 0.00 34.95 31.97 1xeb s ARG 149 CO 0.00 0.12 1.32 0.00 -0.81 0.00 0.00 175.30 175.93