#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 4.09 -0.30 2.46 1.43 -1.26 -4.73 118.68 120.37 1xeb s LEU 3 Ca 0.00 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1xeb s LEU 3 Cb 0.00 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1xeb s LEU 3 CO 0.00 0.01 0.34 -1.81 0.23 0.00 0.00 176.35 175.12 1xeb s ASP 4 N 1.26 6.19 0.03 2.29 1.01 -0.74 -4.93 116.67 121.78 1xeb s ASP 4 Ca 0.09 0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.41 1xeb s ASP 4 Cb -0.14 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1xeb s ASP 4 CO 0.07 -0.22 0.10 0.26 0.21 0.00 0.00 175.17 175.59 1xeb s TRP 5 N 2.00 3.30 -0.11 4.23 0.52 -1.26 -0.57 118.94 127.04 1xeb s TRP 5 Ca 0.12 0.18 -0.22 0.00 0.02 0.00 0.00 56.10 56.20 1xeb s TRP 5 Cb -0.16 -1.70 0.05 0.00 -1.15 0.00 0.00 33.47 30.51 1xeb s TRP 5 CO 0.11 0.55 0.54 -0.08 0.02 0.00 0.00 176.95 178.09 1xeb s THR 6 N -1.32 0.01 -0.25 2.01 -1.32 -1.26 -5.01 115.64 108.50 1xeb s THR 6 Ca 0.27 -0.11 -0.01 0.00 -1.21 0.00 0.00 61.69 60.63 1xeb s THR 6 Cb -0.12 -0.82 0.08 0.00 -1.51 0.00 0.00 72.50 70.13 1xeb s THR 6 CO 0.19 -0.06 0.05 0.00 -2.21 0.00 0.00 174.62 172.59 1xeb s LYS 8 N 1.68 2.05 0.30 0.00 1.02 -0.06 -4.91 119.74 119.82 1xeb s LYS 8 Ca 0.03 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 1xeb s LYS 8 Cb -0.17 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 1xeb s LYS 8 CO -0.15 0.52 1.13 -1.58 -0.92 0.00 0.00 175.35 174.34 1xeb s HIS 9 N -1.09 3.47 0.56 3.18 5.65 -1.26 -1.29 115.29 124.50 1xeb s HIS 9 Ca 0.18 1.65 0.33 0.00 0.25 0.00 0.00 55.06 57.47 1xeb s HIS 9 Cb -0.11 -3.33 1.48 0.00 -1.18 0.00 0.00 32.58 29.43 1xeb s HIS 9 CO 0.10 -0.76 1.81 1.12 -0.65 0.00 0.00 174.74 176.35 1xeb h HIS 10 N 3.63 0.00 0.00 3.88 2.07 -1.73 0.75 115.15 123.75 1xeb h HIS 10 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1xeb h HIS 10 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1xeb h HIS 10 CO 0.58 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.44 1xeb h ALA 11 N 1.39 1.00 -0.06 6.11 0.00 -1.90 -2.90 119.26 122.90 1xeb h ALA 11 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1xeb h ALA 11 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1xeb h ALA 11 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1xeb n ASP 12 N -2.94 2.25 -4.76 0.00 8.00 0.25 -4.97 116.55 114.39 1xeb n ASP 12 Ca 0.01 -1.75 -0.38 0.00 0.71 0.00 0.00 54.79 53.38 1xeb n ASP 12 Cb 0.33 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.92 4.05 0.34 0.64 1.43 -1.10 -5.00 118.68 117.12 1xeb s LEU 13 Ca 0.34 2.56 -0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1xeb s LEU 13 Cb 0.20 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1xeb s LEU 13 CO 0.31 -1.06 0.55 0.42 0.23 0.00 0.00 176.35 176.81 1xeb s THR 14 N -1.37 5.09 0.14 5.49 -4.23 -1.26 -4.92 115.64 114.57 1xeb s THR 14 Ca 0.63 -0.37 -0.20 0.00 -1.18 0.00 0.00 61.69 60.57 1xeb s THR 14 Cb -0.35 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.64 1xeb s THR 14 CO 0.44 -0.54 1.68 -0.07 -0.54 0.00 0.00 174.62 175.59 1xeb h LEU 15 N 0.87 -0.32 -0.71 4.79 3.38 -1.99 -0.66 115.31 120.66 1xeb h LEU 15 Ca -0.49 0.08 0.13 0.00 0.09 0.00 0.00 57.88 57.69 1xeb h LEU 15 Cb 1.21 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.06 1xeb h LEU 15 CO 0.62 -0.12 0.25 0.50 0.09 0.00 0.00 178.44 179.77 1xeb h LYS 16 N -0.06 0.37 -0.13 1.13 3.11 -1.99 -0.33 116.57 118.67 1xeb h LYS 16 Ca 0.12 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1xeb h LYS 16 Cb 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1xeb h LYS 16 CO -0.26 0.25 0.03 0.93 -2.81 0.00 0.00 179.45 177.58 1xeb h GLU 17 N 0.38 0.21 -0.29 1.90 5.08 -1.68 -0.64 114.58 119.54 1xeb h GLU 17 Ca 0.39 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1xeb h GLU 17 Cb 0.58 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1xeb h GLU 17 CO -0.41 0.38 0.14 1.25 -1.00 0.00 0.00 179.01 179.37 1xeb h LEU 18 N 0.01 0.20 -0.30 1.33 6.46 -0.55 -1.29 115.31 121.17 1xeb h LEU 18 Ca 0.04 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1xeb h LEU 18 Cb 0.26 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1xeb h LEU 18 CO 0.00 0.15 0.19 0.22 -0.62 0.00 0.00 178.44 178.38 1xeb h TYR 19 N 0.29 0.36 -0.87 1.25 5.03 -1.04 -1.62 116.97 120.37 1xeb h TYR 19 Ca 0.12 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1xeb h TYR 19 Cb 0.05 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.17 1xeb h TYR 19 CO -0.10 0.22 0.48 0.00 -1.32 0.00 0.00 178.16 177.44 1xeb h ALA 20 N 1.12 1.20 -0.13 1.82 0.00 -0.73 0.20 119.26 122.74 1xeb h ALA 20 Ca 0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1xeb h ALA 20 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1xeb h ALA 20 CO -0.03 0.64 -0.54 1.37 0.00 0.00 0.00 179.25 180.69 1xeb h LEU 21 N 1.22 0.42 -0.46 0.00 8.10 -0.98 0.55 115.31 124.16 1xeb h LEU 21 Ca 0.31 -0.22 -0.17 0.00 0.11 0.00 0.00 57.88 57.90 1xeb h LEU 21 Cb 0.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.12 1xeb h LEU 21 CO -0.05 0.88 -0.65 -0.07 -4.11 0.00 0.00 178.44 174.44 1xeb h LEU 22 N 0.29 0.54 -0.07 0.17 3.38 -0.86 -0.57 115.31 118.20 1xeb h LEU 22 Ca 0.01 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xeb h LEU 22 Cb 1.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1xeb h LEU 22 CO 0.09 1.05 0.03 -0.61 0.09 0.00 0.00 178.44 179.09 1xeb h GLN 23 N 0.34 0.10 -0.21 1.13 -0.00 -0.32 0.14 115.11 116.29 1xeb h GLN 23 Ca -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1xeb h GLN 23 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1xeb h GLN 23 CO 0.12 0.20 0.10 1.25 0.00 0.00 0.00 178.83 180.50 1xeb h LEU 24 N -0.03 0.28 -0.22 -2.39 5.85 -0.83 -0.77 115.31 117.20 1xeb h LEU 24 Ca 0.02 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1xeb h LEU 24 Cb 0.14 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1xeb h LEU 24 CO -0.00 0.33 0.09 0.03 -0.34 0.00 0.00 178.44 178.55 1xeb h ARG 25 N 0.21 0.20 -0.41 1.25 3.08 -0.96 -2.60 114.38 115.16 1xeb h ARG 25 Ca 0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1xeb h ARG 25 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1xeb h ARG 25 CO -0.01 0.13 0.27 1.15 -1.07 0.00 0.00 179.97 180.44 1xeb h THR 26 N 0.21 1.10 -0.93 2.04 2.02 -0.58 -0.49 112.91 116.27 1xeb h THR 26 Ca 0.09 -0.19 0.16 0.00 0.77 0.00 0.00 66.41 67.25 1xeb h THR 26 Cb 0.05 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 66.88 1xeb h THR 26 CO -0.08 0.10 0.60 -0.08 0.37 0.00 0.00 175.52 176.42 1xeb h GLU 27 N 0.54 0.67 0.00 6.66 4.81 -0.85 -0.91 114.58 125.50 1xeb h GLU 27 Ca 0.15 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 1xeb h GLU 27 Cb -0.06 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1xeb h GLU 27 CO -0.04 0.45 -1.47 0.28 -0.73 0.00 0.00 179.01 177.50 1xeb n VAL 28 N -4.60 1.50 0.12 0.32 0.31 -1.00 -1.87 118.33 113.10 1xeb n VAL 28 Ca 0.19 -0.05 -0.03 0.00 -0.01 0.00 0.00 64.34 64.44 1xeb n VAL 28 Cb 0.52 -2.14 0.16 0.00 -0.91 0.00 0.00 33.84 31.46 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 0.13 0.00 3.52 0.05 -1.18 -2.15 116.94 116.31 1xeb h PHE 29 Ca -0.30 -0.05 -0.17 0.00 3.82 0.00 0.00 57.97 61.27 1xeb h PHE 29 Cb 1.17 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 39.07 1xeb h PHE 29 CO -0.17 0.68 -1.34 0.28 -0.18 0.00 0.00 178.31 177.58 1xeb n VAL 30 N -3.85 1.49 0.04 -0.55 0.31 -0.57 -4.04 118.33 111.17 1xeb n VAL 30 Ca -0.02 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 1xeb n VAL 30 Cb 0.61 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 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 -1.00 0.00 0.00 2.52 2.07 -1.28 -0.22 116.25 118.35 1xeb h VAL 31 Ca -0.25 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1xeb h VAL 31 Cb 1.10 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xeb h VAL 31 CO -0.15 0.00 -0.47 1.05 0.02 0.00 0.00 177.57 178.02 1xeb h GLU 32 N -1.03 0.00 -0.13 1.57 4.11 -1.41 -1.83 114.58 115.86 1xeb h GLU 32 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1xeb h GLU 32 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xeb h GLU 32 CO 0.04 0.47 0.00 1.04 0.07 0.00 0.00 179.01 180.62 1xeb n GLN 33 N -3.94 1.65 -3.94 1.06 6.02 -0.81 -4.95 117.38 112.47 1xeb n GLN 33 Ca -0.01 -0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 55.59 1xeb n GLN 33 Cb 0.49 -1.40 0.03 0.00 1.02 0.00 0.00 30.24 30.39 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 0.19 -0.59 -3.72 -1.09 5.02 -0.69 -4.97 118.16 112.31 1xeb n LYS 34 Ca 0.16 0.21 -0.30 0.00 -2.02 0.00 0.00 58.31 56.37 1xeb n LYS 34 Cb 0.31 -3.10 -0.15 0.00 -0.02 0.00 0.00 35.03 32.07 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 4.89 1.95 -3.76 0.00 -0.04 -1.26 -4.36 135.00 132.42 1xeb n PRO 36 Ca -0.03 -1.86 -0.22 0.00 -0.04 0.00 0.00 63.50 61.36 1xeb n PRO 36 Cb 0.42 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.17 2.70 -1.11 0.54 1.13 -1.26 -5.03 117.35 118.49 1xeb s TYR 37 Ca 0.51 -0.49 -0.21 0.00 -1.41 0.00 0.00 57.07 55.47 1xeb s TYR 37 Cb 0.13 -2.05 0.04 0.00 -1.10 0.00 0.00 41.96 38.98 1xeb s TYR 37 CO 0.04 0.01 1.63 -1.14 -2.51 0.00 0.00 175.55 173.58 1xeb s GLN 38 N -4.04 3.55 0.30 -3.49 2.00 -1.26 -4.82 119.66 111.89 1xeb s GLN 38 Ca 0.45 -1.33 0.02 0.00 -2.00 0.00 0.00 55.36 52.50 1xeb s GLN 38 Cb -0.02 -5.38 0.57 0.00 0.80 0.00 0.00 33.01 28.99 1xeb s GLN 38 CO 0.26 -2.46 1.87 1.49 -0.50 0.00 0.00 175.29 175.94 1xeb h GLU 39 N 9.21 0.95 -5.19 1.67 4.57 -1.95 -3.28 114.58 120.56 1xeb h GLU 39 Ca 0.27 -0.06 -0.71 0.00 -1.18 0.00 0.00 59.36 57.69 1xeb h GLU 39 Cb 0.96 -0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 29.19 1xeb h GLU 39 CO 1.40 0.63 1.54 0.08 -1.18 0.00 0.00 179.01 181.48 1xeb s VAL 40 N -5.91 4.66 -1.73 0.32 1.01 -1.26 -4.84 120.40 112.65 1xeb s VAL 40 Ca -0.12 -2.17 0.31 0.00 0.00 0.00 0.00 61.98 60.00 1xeb s VAL 40 Cb 0.21 -4.99 0.72 0.00 0.00 0.00 0.00 36.38 32.33 1xeb s VAL 40 CO 0.80 -1.74 2.12 -0.90 0.00 0.00 0.00 175.10 175.38 1xeb n ASP 41 N 6.75 0.00 0.00 3.32 3.85 -1.24 -4.92 116.55 124.32 1xeb n ASP 41 Ca 0.38 -0.59 0.00 0.00 -0.71 0.00 0.00 54.79 53.88 1xeb n ASP 41 Cb 0.45 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 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 1.09 0.78 0.87 6.12 0.00 -1.26 -4.90 105.19 107.89 1xeb n GLY 42 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 2.86 0.09 0.99 4.77 -1.26 -4.56 117.00 119.89 1xeb n LEU 43 Ca 0.00 -1.20 -0.13 0.00 -0.03 0.00 0.00 56.01 54.65 1xeb n LEU 43 Cb 0.00 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1xeb n LEU 43 CO 0.00 0.55 0.05 0.44 -1.33 0.00 0.00 177.39 177.10 1xeb h ASP 44 N 3.86 0.32 -1.12 -1.43 3.45 -1.98 -3.37 116.42 116.16 1xeb h ASP 44 Ca 0.00 -0.33 -0.60 0.00 0.43 0.00 0.00 57.03 56.54 1xeb h ASP 44 Cb 0.85 -0.10 -0.39 0.00 -0.56 0.00 0.00 39.33 39.12 1xeb h ASP 44 CO 0.00 1.22 -0.39 0.18 -1.57 0.00 0.00 179.24 178.68 1xeb n LEU 45 N -3.53 5.48 -4.27 1.55 4.77 -1.26 -4.73 117.00 115.00 1xeb n LEU 45 Ca -0.06 -4.83 -0.17 0.00 -0.03 0.00 0.00 56.01 50.92 1xeb n LEU 45 Cb 0.96 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1xeb n LEU 45 CO 0.51 2.03 -0.44 0.68 -1.33 0.00 0.00 177.39 178.85 1xeb s VAL 46 N -4.95 1.40 0.00 4.08 -7.23 -1.26 -5.04 120.40 107.40 1xeb s VAL 46 Ca 0.52 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1xeb s VAL 46 Cb 0.42 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1xeb s VAL 46 CO -0.07 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 1xeb n GLY 47 N 0.07 2.00 0.55 2.32 0.00 -1.26 -1.64 105.19 107.24 1xeb n GLY 47 Ca -0.12 0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.43 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 3.21 1.77 -4.76 1.61 8.00 -1.26 -4.94 116.55 120.18 1xeb n ASP 48 Ca 0.00 -3.80 -0.38 0.00 0.71 0.00 0.00 54.79 51.32 1xeb n ASP 48 Cb 0.00 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1xeb n ASP 48 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xeb s THR 49 N -3.16 2.27 0.24 -3.53 -1.32 -0.65 -4.50 115.64 104.99 1xeb s THR 49 Ca 0.37 0.21 0.11 0.00 -1.21 0.00 0.00 61.69 61.18 1xeb s THR 49 Cb 0.36 -3.11 -0.05 0.00 -1.51 0.00 0.00 72.50 68.19 1xeb s THR 49 CO -0.06 0.00 -0.20 -1.00 -2.21 0.00 0.00 174.62 171.16 1xeb s HIS 50 N -1.33 2.34 -0.07 9.09 3.76 0.14 -2.17 115.29 127.04 1xeb s HIS 50 Ca 0.68 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1xeb s HIS 50 Cb -0.39 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.24 1xeb s HIS 50 CO 0.47 0.62 -0.14 -1.01 -0.85 0.00 0.00 174.74 173.83 1xeb s HIS 51 N -2.13 1.63 0.39 1.40 3.76 -0.41 -1.37 115.29 118.57 1xeb s HIS 51 Ca 0.26 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 1xeb s HIS 51 Cb -0.06 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1xeb s HIS 51 CO 0.13 -0.32 0.42 -1.17 -0.85 0.00 0.00 174.74 172.96 1xeb s LEU 52 N 0.68 3.56 -0.30 0.89 2.96 -0.65 -0.88 118.68 124.94 1xeb s LEU 52 Ca -0.14 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 1xeb s LEU 52 Cb -0.16 -2.31 0.14 0.00 0.50 0.00 0.00 46.19 44.35 1xeb s LEU 52 CO 0.04 -0.60 0.73 0.00 -1.32 0.00 0.00 176.35 175.19 1xeb s ALA 54 N -2.38 -2.18 0.27 5.97 0.00 -0.39 -2.71 121.76 120.34 1xeb s ALA 54 Ca 0.48 2.29 0.11 0.00 0.00 0.00 0.00 51.96 54.84 1xeb s ALA 54 Cb -0.06 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1xeb s ALA 54 CO 0.29 -0.90 -0.12 -1.58 0.00 0.00 0.00 175.76 173.45 1xeb s TRP 55 N 2.72 2.47 -0.29 0.00 0.52 0.26 -0.56 118.94 124.05 1xeb s TRP 55 Ca -0.06 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 55.59 1xeb s TRP 55 Cb -0.10 -1.09 0.16 0.00 -1.15 0.00 0.00 33.47 31.29 1xeb s TRP 55 CO -0.19 0.66 1.09 0.50 0.02 0.00 0.00 176.95 179.04 1xeb s ARG 56 N -3.51 0.31 -1.46 4.98 3.52 -0.67 -1.79 118.95 120.33 1xeb s ARG 56 Ca 0.30 0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 56.32 1xeb s ARG 56 Cb -0.06 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1xeb s ARG 56 CO 0.17 -0.05 0.62 -3.47 -0.81 0.00 0.00 175.30 171.75 1xeb n ASP 57 N 3.05 -1.66 -1.60 -2.12 2.03 -1.26 -0.96 116.55 114.02 1xeb n ASP 57 Ca -0.16 -0.94 -0.20 0.00 0.52 0.00 0.00 54.79 54.01 1xeb n ASP 57 Cb 0.57 -3.31 -0.07 0.00 -0.72 0.00 0.00 41.12 37.58 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xeb n GLY 58 N -1.76 1.58 3.25 0.27 0.00 -1.26 -4.99 105.19 102.28 1xeb n GLY 58 Ca -0.19 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.84 1.27 -0.36 1.61 -0.21 -0.14 -5.11 119.66 112.89 1xeb s GLN 59 Ca 0.00 -0.99 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 1xeb s GLN 59 Cb 0.00 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.59 1xeb s GLN 59 CO 0.00 0.35 0.68 -1.17 -2.12 0.00 0.00 175.29 173.03 1xeb s LEU 60 N -1.39 4.22 -0.19 2.90 0.20 -1.26 -1.67 118.68 121.50 1xeb s LEU 60 Ca 0.07 0.21 0.16 0.00 0.69 0.00 0.00 54.13 55.26 1xeb s LEU 60 Cb -0.09 -2.85 -0.23 0.00 -0.43 0.00 0.00 46.19 42.58 1xeb s LEU 60 CO 0.02 -0.63 0.06 0.18 -0.29 0.00 0.00 176.35 175.69 1xeb n LEU 61 N 6.15 0.08 -3.95 -0.68 4.77 0.27 -4.68 117.00 118.96 1xeb n LEU 61 Ca -0.00 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1xeb n LEU 61 Cb 0.48 0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.89 1xeb n LEU 61 CO 0.50 0.48 -0.34 0.00 -1.33 0.00 0.00 177.39 176.70 1xeb s ALA 62 N -2.46 0.05 -0.03 -1.18 0.00 -1.16 0.53 121.76 117.51 1xeb s ALA 62 Ca -0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1xeb s ALA 62 Cb 0.06 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1xeb s ALA 62 CO 0.77 -0.13 0.70 -0.47 0.00 0.00 0.00 175.76 176.63 1xeb s TYR 63 N -1.14 -0.61 0.07 0.00 5.04 0.19 -1.26 117.35 119.64 1xeb s TYR 63 Ca -0.12 0.94 -0.25 0.00 -2.44 0.00 0.00 57.07 55.20 1xeb s TYR 63 Cb -0.08 0.44 0.06 0.00 0.35 0.00 0.00 41.96 42.74 1xeb s TYR 63 CO -0.01 -0.62 0.59 -0.48 -1.34 0.00 0.00 175.55 173.69 1xeb s LEU 64 N -1.46 -0.40 0.11 6.97 0.05 -1.10 -0.16 118.68 122.69 1xeb s LEU 64 Ca -0.08 0.23 0.08 0.00 0.05 0.00 0.00 54.13 54.41 1xeb s LEU 64 Cb -0.00 2.41 -0.04 0.00 -2.05 0.00 0.00 46.19 46.51 1xeb s LEU 64 CO 0.05 -0.79 -0.14 -0.60 -0.55 0.00 0.00 176.35 174.31 1xeb s ARG 65 N -2.69 1.96 -0.11 1.48 3.52 0.57 -1.64 118.95 122.04 1xeb s ARG 65 Ca -0.04 -1.10 0.01 0.00 -0.13 0.00 0.00 55.73 54.48 1xeb s ARG 65 Cb -0.01 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.19 1xeb s ARG 65 CO -0.04 0.50 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.31 1xeb s LEU 66 N -2.13 1.59 -0.12 -0.88 1.43 -0.47 -1.60 118.68 116.49 1xeb s LEU 66 Ca 0.19 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1xeb s LEU 66 Cb -0.11 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1xeb s LEU 66 CO 0.12 -0.03 0.19 -0.76 0.23 0.00 0.00 176.35 176.10 1xeb s LEU 67 N 1.21 4.35 0.26 1.79 1.02 -0.10 -0.68 118.68 126.53 1xeb s LEU 67 Ca -0.03 0.49 -0.30 0.00 0.02 0.00 0.00 54.13 54.32 1xeb s LEU 67 Cb -0.14 -2.17 -0.09 0.00 0.02 0.00 0.00 46.19 43.80 1xeb s LEU 67 CO -0.04 0.32 1.11 1.51 0.02 0.00 0.00 176.35 179.27 1xeb s ASP 68 N -0.61 7.25 0.41 2.29 -4.77 -1.26 -2.29 116.67 117.69 1xeb s ASP 68 Ca 0.15 2.26 0.15 0.00 -3.30 0.00 0.00 52.55 51.81 1xeb s ASP 68 Cb -0.13 -2.62 1.02 0.00 -1.09 0.00 0.00 42.92 40.10 1xeb s ASP 68 CO 0.04 -0.17 1.90 1.55 0.70 0.00 0.00 175.17 179.19 1xeb h PRO 69 N 4.03 0.44 0.00 2.11 0.13 -1.91 -2.53 132.00 134.27 1xeb h PRO 69 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1xeb h PRO 69 Cb 1.21 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xeb h PRO 69 CO 0.68 0.29 -0.04 -0.39 -0.23 0.00 0.00 178.00 178.31 1xeb h VAL 70 N 0.46 1.00 -0.01 1.56 -1.51 -1.93 -0.07 116.25 115.74 1xeb h VAL 70 Ca 0.40 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1xeb h VAL 70 Cb 0.89 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1xeb h VAL 70 CO -0.14 0.04 -0.08 0.54 -1.23 0.00 0.00 177.57 176.69 1xeb n ARG 71 N -4.46 1.43 -2.71 5.19 1.74 -0.96 -4.26 116.66 112.64 1xeb n ARG 71 Ca -0.03 -0.85 -0.12 0.00 -0.77 0.00 0.00 57.85 56.08 1xeb n ARG 71 Cb 0.12 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.04 1.26 -4.09 -1.55 8.25 -0.35 -5.00 115.22 113.70 1xeb n HIS 72 Ca 0.17 -2.95 -0.29 0.00 -0.26 0.00 0.00 57.72 54.39 1xeb n HIS 72 Cb 0.36 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.06 -2.73 -1.01 -0.41 4.71 -1.13 -1.69 120.64 118.32 1xeb n GLU 73 Ca 0.14 0.33 -0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1xeb n GLU 73 Cb 0.78 -4.43 -0.00 0.00 -1.01 0.00 0.00 31.44 26.78 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 -1.99 0.47 3.08 0.62 0.00 -0.18 -5.04 105.19 102.14 1xeb n GLY 74 Ca -0.24 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.76 1.75 -0.07 1.61 -0.21 -0.68 -4.39 119.66 116.90 1xeb s GLN 75 Ca 0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 1xeb s GLN 75 Cb 0.00 -1.47 -0.02 0.00 1.00 0.00 0.00 33.01 32.51 1xeb s GLN 75 CO 0.00 0.14 0.91 0.54 -2.12 0.00 0.00 175.29 174.76 1xeb s VAL 76 N 0.33 4.88 -0.16 1.09 0.11 -0.60 -3.80 120.40 122.25 1xeb s VAL 76 Ca -0.09 1.87 -0.10 0.00 -2.93 0.00 0.00 61.98 60.73 1xeb s VAL 76 Cb -0.13 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.43 1xeb s VAL 76 CO 0.03 0.11 0.18 -0.69 -3.33 0.00 0.00 175.10 171.40 1xeb s VAL 77 N 1.45 5.40 -0.12 2.04 1.01 -0.97 -1.16 120.40 128.04 1xeb s VAL 77 Ca 0.46 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1xeb s VAL 77 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1xeb s VAL 77 CO 0.21 0.48 0.06 -0.63 0.00 0.00 0.00 175.10 175.22 1xeb s ILE 78 N -0.05 4.77 0.20 2.22 1.01 0.84 -0.93 121.20 129.26 1xeb s ILE 78 Ca 0.12 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.49 1xeb s ILE 78 Cb -0.12 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.35 1xeb s ILE 78 CO 0.02 0.57 1.00 -0.83 0.00 0.00 0.00 174.94 175.69 1xeb s GLY 79 N -0.54 0.06 -1.45 6.18 0.00 -0.63 -4.39 107.32 106.55 1xeb s GLY 79 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1xeb s GLY 79 CO 0.02 1.56 0.76 0.54 0.00 0.00 0.00 173.10 175.98 1xeb n ARG 80 N -0.63 -4.82 -2.27 2.90 5.12 -1.26 -0.32 116.66 115.38 1xeb n ARG 80 Ca -0.04 0.63 -0.43 0.00 -1.93 0.00 0.00 57.85 56.08 1xeb n ARG 80 Cb 0.60 -5.47 -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 -3.16 3.89 0.04 1.55 1.01 -1.26 -4.14 120.40 118.34 1xeb s VAL 81 Ca 0.50 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1xeb s VAL 81 Cb -0.25 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1xeb s VAL 81 CO 0.62 -0.48 -0.04 0.54 0.00 0.00 0.00 175.10 175.74 1xeb s VAL 82 N 5.09 0.25 -0.01 2.92 0.11 0.77 -5.00 120.40 124.54 1xeb s VAL 82 Ca 0.64 -1.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1xeb s VAL 82 Cb -0.19 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1xeb s VAL 82 CO 0.28 -0.70 0.03 -0.44 -3.33 0.00 0.00 175.10 170.93 1xeb s SER 83 N -2.15 -0.00 0.33 3.54 0.01 -1.26 -0.64 113.70 113.53 1xeb s SER 83 Ca -0.04 -0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 1xeb s SER 83 Cb -0.02 0.07 -0.11 0.00 0.21 0.00 0.00 66.02 66.17 1xeb s SER 83 CO -0.04 -0.05 1.51 -0.55 0.41 0.00 0.00 173.24 174.52 1xeb s SER 84 N -0.17 6.41 0.29 2.44 0.15 0.19 -4.85 113.70 118.15 1xeb s SER 84 Ca -0.02 2.96 0.02 0.00 0.70 0.00 0.00 55.95 59.61 1xeb s SER 84 Cb -0.01 -2.65 0.72 0.00 -1.71 0.00 0.00 66.02 62.37 1xeb s SER 84 CO -0.00 -0.85 1.64 -1.28 1.20 0.00 0.00 173.24 173.95 1xeb h SER 85 N 3.90 -0.01 0.30 5.45 0.87 -1.98 0.63 113.55 122.72 1xeb h SER 85 Ca -0.49 0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.13 1xeb h SER 85 Cb 1.23 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1xeb h SER 85 CO 0.71 -0.17 -0.58 0.00 -0.53 0.00 0.00 176.83 176.27 1xeb h ALA 86 N 1.79 0.85 0.00 6.23 0.00 -1.98 -3.13 119.26 123.02 1xeb h ALA 86 Ca 0.56 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xeb h ALA 86 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xeb h ALA 86 CO -0.66 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1xeb n ALA 87 N -2.48 2.39 -1.76 0.00 0.00 0.17 -4.87 120.51 113.96 1xeb n ALA 87 Ca -0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1xeb n ALA 87 Cb 0.60 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.59 3.57 0.00 0.00 0.52 -0.95 -3.72 118.95 115.78 1xeb s ARG 88 Ca 0.26 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1xeb s ARG 88 Cb 0.19 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.60 1xeb s ARG 88 CO 0.43 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1xeb n GLY 89 N -0.24 2.92 1.01 -3.53 0.00 -1.26 -4.88 105.19 99.20 1xeb n GLY 89 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 2.54 -1.40 1.61 1.13 -1.24 -4.89 117.38 113.13 1xeb n GLN 90 Ca 0.00 -1.58 -0.01 0.00 -1.94 0.00 0.00 57.00 53.47 1xeb n GLN 90 Cb 0.00 -1.62 -0.00 0.00 0.11 0.00 0.00 30.24 28.73 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 0.74 0.41 0.23 1.08 0.00 -1.26 -4.94 105.19 101.45 1xeb n GLY 91 Ca 0.14 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.24 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 0.02 -0.29 0.99 3.38 -1.90 -2.90 115.31 114.62 1xeb h LEU 92 Ca -0.02 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1xeb h LEU 92 Cb 0.42 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1xeb h LEU 92 CO 0.03 0.19 -0.11 1.23 0.09 0.00 0.00 178.44 179.87 1xeb h GLY 93 N 0.54 0.15 0.96 0.83 0.00 -1.94 -0.42 103.07 103.18 1xeb h GLY 93 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1xeb h GLY 93 CO 0.02 -0.14 0.16 0.84 0.00 0.00 0.00 176.54 177.42 1xeb h HIS 94 N -0.06 0.39 -0.65 5.60 -0.00 -1.93 -2.95 115.15 115.56 1xeb h HIS 94 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1xeb h HIS 94 Cb 0.28 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1xeb h HIS 94 CO -0.31 0.32 0.40 1.96 -0.00 0.00 0.00 177.93 180.30 1xeb h GLN 95 N 0.35 0.87 -0.07 5.26 4.20 -1.42 0.10 115.11 124.39 1xeb h GLN 95 Ca 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1xeb h GLN 95 Cb 0.06 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1xeb h GLN 95 CO -0.02 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1xeb n LEU 96 N -4.41 0.07 0.00 1.46 4.77 -0.20 -0.30 117.00 118.38 1xeb n LEU 96 Ca 0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xeb n LEU 96 Cb 0.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1xeb n LEU 96 CO 0.37 0.02 0.00 1.21 -1.33 0.00 0.00 177.39 177.65 1xeb n GLU 98 N -0.11 0.00 0.09 3.23 2.13 0.35 -0.39 120.64 125.95 1xeb n GLU 98 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1xeb n GLU 98 Cb 0.02 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.96 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 0.25 -0.59 5.31 3.08 -0.89 -0.22 114.38 121.32 1xeb h ARG 99 Ca 0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1xeb h ARG 99 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1xeb h ARG 99 CO 0.00 0.60 0.07 0.00 -1.07 0.00 0.00 179.97 179.58 1xeb h ALA 100 N 1.39 0.79 -0.46 0.04 0.00 -0.93 0.26 119.26 120.34 1xeb h ALA 100 Ca 0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1xeb h ALA 100 Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xeb h ALA 100 CO 0.06 0.56 -0.22 -0.07 0.00 0.00 0.00 179.25 179.58 1xeb h LEU 101 N 0.89 1.00 -1.30 0.00 4.07 -1.75 0.45 115.31 118.68 1xeb h LEU 101 Ca 0.18 -0.40 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1xeb h LEU 101 Cb 0.45 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1xeb h LEU 101 CO 0.02 1.18 0.17 -0.61 -1.08 0.00 0.00 178.44 178.11 1xeb h GLN 102 N 0.81 0.65 0.06 1.13 4.15 -0.70 -2.09 115.11 119.12 1xeb h GLN 102 Ca 0.10 -0.09 -0.26 0.00 0.77 0.00 0.00 58.65 59.17 1xeb h GLN 102 Cb 0.80 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 28.38 1xeb h GLN 102 CO 0.07 0.55 -1.10 0.00 -1.93 0.00 0.00 178.83 176.42 1xeb h ALA 103 N 1.54 0.16 -0.93 3.38 0.00 0.16 -3.19 119.26 120.39 1xeb h ALA 103 Ca 0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1xeb h ALA 103 Cb 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xeb h ALA 103 CO -0.01 0.77 0.54 0.00 0.00 0.00 0.00 179.25 180.55 1xeb h ALA 104 N 0.51 1.20 -0.30 0.00 0.00 0.35 -2.24 119.26 118.78 1xeb h ALA 104 Ca -0.13 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1xeb h ALA 104 Cb 1.76 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1xeb h ALA 104 CO 0.20 0.67 -0.38 1.49 0.00 0.00 0.00 179.25 181.23 1xeb h GLU 105 N 1.29 0.69 -0.00 0.00 4.81 -1.46 0.72 114.58 120.63 1xeb h GLU 105 Ca 0.33 -0.35 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1xeb h GLU 105 Cb -0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1xeb h GLU 105 CO -0.06 0.96 -0.80 0.07 -0.73 0.00 0.00 179.01 178.46 1xeb h ARG 106 N 0.57 0.04 0.13 1.92 0.11 -1.50 -1.38 114.38 114.27 1xeb h ARG 106 Ca 0.05 -0.04 -0.33 0.00 0.10 0.00 0.00 59.98 59.76 1xeb h ARG 106 Cb 0.91 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 1xeb h ARG 106 CO 0.08 0.81 -1.73 -0.07 0.10 0.00 0.00 179.97 179.16 1xeb h LEU 107 N 0.02 0.43 -5.58 0.08 3.38 -1.39 -3.41 115.31 108.84 1xeb h LEU 107 Ca -0.01 -0.71 -0.43 0.00 0.09 0.00 0.00 57.88 56.82 1xeb h LEU 107 Cb 1.40 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 41.61 1xeb h LEU 107 CO 0.11 1.61 -1.20 0.79 0.09 0.00 0.00 178.44 179.84 1xeb n TRP 108 N -3.46 0.58 -1.43 1.13 8.01 0.24 -5.10 117.44 117.41 1xeb n TRP 108 Ca -0.23 -3.39 -0.55 0.00 -1.31 0.00 0.00 57.50 52.03 1xeb n TRP 108 Cb 1.06 -0.40 -0.07 0.00 -2.01 0.00 0.00 31.31 29.89 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 0.14 -0.30 -0.10 -0.99 7.94 -0.52 -1.43 117.00 121.73 1xeb n LEU 109 Ca 0.18 1.12 -0.01 0.00 -1.11 0.00 0.00 56.01 56.19 1xeb n LEU 109 Cb 0.73 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.77 1xeb n LEU 109 CO 0.23 -2.11 -0.01 0.47 -1.11 0.00 0.00 177.39 174.86 1xeb n ASP 110 N 1.57 -4.65 -4.81 1.96 10.43 -1.26 -5.00 116.55 114.80 1xeb n ASP 110 Ca 0.19 0.03 -0.37 0.00 2.57 0.00 0.00 54.79 57.21 1xeb n ASP 110 Cb 0.12 -2.26 -0.06 0.00 1.84 0.00 0.00 41.12 40.75 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 -1.55 5.28 0.69 -3.53 2.01 -0.51 -5.06 115.64 112.96 1xeb s THR 111 Ca 0.00 0.53 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 1xeb s THR 111 Cb 0.00 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1xeb s THR 111 CO 0.00 0.52 1.13 -2.16 -0.69 0.00 0.00 174.62 173.42 1xeb s PRO 112 N -0.47 2.58 0.00 4.92 0.04 -1.26 -4.81 135.00 136.00 1xeb s PRO 112 Ca 0.18 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1xeb s PRO 112 Cb -0.14 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1xeb s PRO 112 CO 0.07 -1.43 -0.15 0.08 0.04 0.00 0.00 177.00 175.60 1xeb s VAL 113 N -2.31 2.97 0.04 -0.36 1.01 -0.24 -1.56 120.40 119.94 1xeb s VAL 113 Ca 0.68 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1xeb s VAL 113 Cb -0.22 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1xeb s VAL 113 CO 0.44 0.44 -0.10 -0.47 0.00 0.00 0.00 175.10 175.41 1xeb s TYR 114 N -0.85 0.89 0.01 5.22 6.14 -0.31 0.18 117.35 128.62 1xeb s TYR 114 Ca 0.14 -0.37 -0.18 0.00 0.64 0.00 0.00 57.07 57.30 1xeb s TYR 114 Cb -0.11 -0.53 0.03 0.00 0.42 0.00 0.00 41.96 41.78 1xeb s TYR 114 CO 0.04 -0.01 0.38 -0.48 0.64 0.00 0.00 175.55 176.12 1xeb s LEU 115 N -1.17 0.54 -0.24 6.97 0.05 -1.26 -0.11 118.68 123.45 1xeb s LEU 115 Ca -0.03 0.08 -0.16 0.00 0.05 0.00 0.00 54.13 54.07 1xeb s LEU 115 Cb -0.08 1.58 -0.03 0.00 -2.05 0.00 0.00 46.19 45.61 1xeb s LEU 115 CO 0.01 -0.56 0.43 -0.55 -0.55 0.00 0.00 176.35 175.13 1xeb s SER 116 N -1.65 6.39 0.04 1.48 0.15 -1.26 -4.59 113.70 114.25 1xeb s SER 116 Ca -0.09 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.07 1xeb s SER 116 Cb -0.02 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1xeb s SER 116 CO 0.02 -0.18 -0.13 0.00 1.20 0.00 0.00 173.24 174.15 1xeb s ALA 117 N 1.86 2.80 0.18 5.45 0.00 0.02 -4.91 121.76 127.15 1xeb s ALA 117 Ca 0.19 -1.15 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 1xeb s ALA 117 Cb -0.15 -0.89 -0.11 0.00 0.00 0.00 0.00 23.12 21.96 1xeb s ALA 117 CO 0.09 0.60 1.75 -0.65 0.00 0.00 0.00 175.76 177.54 1xeb s GLN 118 N -1.57 4.13 0.58 0.00 -0.21 -1.26 0.34 119.66 121.68 1xeb s GLN 118 Ca 0.17 2.59 0.28 0.00 0.02 0.00 0.00 55.36 58.42 1xeb s GLN 118 Cb -0.11 -3.22 1.54 0.00 1.00 0.00 0.00 33.01 32.22 1xeb s GLN 118 CO 0.07 -0.77 1.85 0.00 -2.12 0.00 0.00 175.29 174.32 1xeb h ALA 119 N 7.31 1.24 0.00 6.09 0.00 -0.92 -2.30 119.26 130.68 1xeb h ALA 119 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1xeb h ALA 119 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xeb h ALA 119 CO 0.95 -0.24 -1.09 -2.39 0.00 0.00 0.00 179.25 176.48 1xeb n HIS 120 N -2.71 0.95 -1.26 0.00 1.44 -1.26 -4.01 115.22 108.35 1xeb n HIS 120 Ca -0.02 0.28 -0.19 0.00 -2.01 0.00 0.00 57.72 55.79 1xeb n HIS 120 Cb 0.30 -0.97 0.19 0.00 0.12 0.00 0.00 29.99 29.64 1xeb n HIS 120 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1xeb n LEU 121 N -2.69 6.16 -0.31 2.39 -0.00 -0.86 -4.58 117.00 117.10 1xeb n LEU 121 Ca -0.01 -3.62 0.05 0.00 -0.00 0.00 0.00 56.01 52.43 1xeb n LEU 121 Cb 0.59 -0.79 0.25 0.00 -0.00 0.00 0.00 43.42 43.47 1xeb n LEU 121 CO 0.41 1.08 1.25 -0.61 -0.00 0.00 0.00 177.39 179.51 1xeb h GLN 122 N 1.13 0.97 -0.48 1.47 4.15 -1.70 -2.19 115.11 118.47 1xeb h GLN 122 Ca 0.53 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.76 1xeb h GLN 122 Cb 2.59 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 30.05 1xeb h GLN 122 CO 0.93 0.64 -0.21 0.00 -1.93 0.00 0.00 178.83 178.27 1xeb h ALA 123 N 1.52 0.67 -0.83 3.38 0.00 -1.92 -2.72 119.26 119.36 1xeb h ALA 123 Ca 0.42 -0.39 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1xeb h ALA 123 Cb 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1xeb h ALA 123 CO -0.17 0.65 0.55 -0.92 0.00 0.00 0.00 179.25 179.35 1xeb h TYR 124 N 0.84 0.64 0.00 0.00 5.03 -1.75 0.11 116.97 121.84 1xeb h TYR 124 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1xeb h TYR 124 Cb 0.79 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1xeb h TYR 124 CO 0.05 0.23 -0.30 1.88 -1.32 0.00 0.00 178.16 178.71 1xeb h TYR 125 N 0.54 0.00 -0.82 -3.82 0.05 -1.44 -3.17 116.97 108.31 1xeb h TYR 125 Ca 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.20 1xeb h TYR 125 Cb 0.83 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 1xeb h TYR 125 CO -0.00 0.23 0.51 0.78 -1.05 0.00 0.00 178.16 178.63 1xeb h GLY 126 N 3.78 1.17 -0.85 3.88 0.00 -0.48 -1.80 103.07 108.77 1xeb h GLY 126 Ca -0.01 -0.47 0.40 0.00 0.00 0.00 0.00 47.33 47.25 1xeb h GLY 126 CO 0.03 0.46 0.92 3.21 0.00 0.00 0.00 176.54 181.16 1xeb h ARG 127 N 1.12 0.11 -0.49 4.80 -0.00 -1.48 0.75 114.38 119.18 1xeb h ARG 127 Ca 0.29 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1xeb h ARG 127 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.88 1xeb h ARG 127 CO -0.06 0.07 0.00 0.66 0.00 0.00 0.00 179.97 180.64 1xeb n TYR 128 N -4.40 0.64 -0.28 3.04 4.01 -0.72 -4.92 117.16 114.53 1xeb n TYR 128 Ca 0.33 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1xeb n TYR 128 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.40 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 1.44 0.86 3.78 2.72 0.00 0.26 -5.01 105.19 109.23 1xeb n GLY 129 Ca 0.20 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.84 0.00 1.61 0.08 -0.94 -4.39 117.98 116.19 1xeb s PHE 130 Ca 0.00 1.69 0.05 0.00 0.12 0.00 0.00 56.93 58.79 1xeb s PHE 130 Cb 0.00 -2.82 -0.02 0.00 -0.57 0.00 0.00 43.02 39.61 1xeb s PHE 130 CO 0.00 0.41 -0.16 0.08 -0.10 0.00 0.00 175.22 175.46 1xeb s VAL 131 N -1.31 1.24 0.20 -0.44 1.01 0.01 -4.11 120.40 117.01 1xeb s VAL 131 Ca 0.41 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1xeb s VAL 131 Cb -0.22 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 1xeb s VAL 131 CO 0.26 0.26 1.45 0.00 0.00 0.00 0.00 175.10 177.08 1xeb s ALA 132 N -0.50 3.65 -0.02 5.51 0.00 -1.26 -0.76 121.76 128.38 1xeb s ALA 132 Ca 0.05 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1xeb s ALA 132 Cb -0.07 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1xeb s ALA 132 CO 0.00 -0.71 0.84 1.33 0.00 0.00 0.00 175.76 177.22 1xeb n VAL 133 N 2.98 0.64 -4.04 0.00 0.24 0.85 -4.89 118.33 114.11 1xeb n VAL 133 Ca 0.09 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.34 61.61 1xeb n VAL 133 Cb 0.40 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.75 0.07 0.87 3.34 -4.23 -1.19 -4.92 115.64 108.82 1xeb s THR 134 Ca 0.04 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1xeb s THR 134 Cb 0.03 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 72.02 1xeb s THR 134 CO 0.00 -0.32 1.13 -0.70 -0.54 0.00 0.00 174.62 174.20 1xeb s GLU 135 N -4.01 1.44 0.34 3.99 2.56 -1.26 -4.60 118.70 117.16 1xeb s GLU 135 Ca 0.21 0.33 -0.26 0.00 0.00 0.00 0.00 54.97 55.26 1xeb s GLU 135 Cb 0.05 -1.87 -0.10 0.00 2.00 0.00 0.00 34.13 34.21 1xeb s GLU 135 CO 0.02 -2.00 1.00 0.08 -0.56 0.00 0.00 175.26 173.79 1xeb s VAL 136 N -3.30 3.96 0.14 3.70 1.01 -1.26 -4.54 120.40 120.11 1xeb s VAL 136 Ca 0.63 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 64.20 1xeb s VAL 136 Cb -0.14 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1xeb s VAL 136 CO 0.53 0.12 0.11 -0.72 0.00 0.00 0.00 175.10 175.15 1xeb s TYR 137 N -1.58 0.78 0.08 5.22 -0.85 -0.31 -4.96 117.35 115.73 1xeb s TYR 137 Ca 0.52 -1.14 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 1xeb s TYR 137 Cb -0.21 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 1xeb s TYR 137 CO 0.27 -0.58 0.23 -1.17 -1.52 0.00 0.00 175.55 172.79 1xeb s LEU 138 N -3.04 4.35 -0.23 -3.49 2.96 -1.26 0.11 118.68 118.08 1xeb s LEU 138 Ca 0.24 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1xeb s LEU 138 Cb 0.06 -2.98 0.09 0.00 0.50 0.00 0.00 46.19 43.87 1xeb s LEU 138 CO 0.02 0.14 0.16 -1.61 -1.32 0.00 0.00 176.35 173.75 1xeb s GLU 139 N -2.63 0.17 -1.20 1.98 2.02 -0.41 -4.86 118.70 113.78 1xeb s GLU 139 Ca 0.35 -0.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.97 1xeb s GLU 139 Cb -0.13 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1xeb s GLU 139 CO 0.28 -0.82 0.71 -3.47 0.02 0.00 0.00 175.26 171.98 1xeb n ASP 140 N 5.28 -4.30 -0.81 -0.19 2.03 -1.26 -0.75 116.55 116.56 1xeb n ASP 140 Ca -0.06 -1.08 -0.09 0.00 0.52 0.00 0.00 54.79 54.09 1xeb n ASP 140 Cb 0.47 -2.97 -0.04 0.00 -0.72 0.00 0.00 41.12 37.86 1xeb n ASP 140 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xeb n ASP 141 N -2.62 -4.21 -4.22 1.67 8.00 -1.26 -4.94 116.55 108.97 1xeb n ASP 141 Ca -0.13 0.21 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 1xeb n ASP 141 Cb 0.60 -3.27 -0.15 0.00 -0.02 0.00 0.00 41.12 38.28 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1xeb s ILE 142 N -1.61 2.82 0.23 0.53 2.07 0.07 -5.09 121.20 120.22 1xeb s ILE 142 Ca 0.00 -0.76 -0.30 0.00 -1.41 0.00 0.00 60.65 58.17 1xeb s ILE 142 Cb 0.00 -2.29 -0.10 0.00 0.13 0.00 0.00 42.46 40.20 1xeb s ILE 142 CO 0.00 0.41 1.51 -2.16 -1.91 0.00 0.00 174.94 172.79 1xeb s PRO 143 N 1.38 4.22 0.43 3.50 0.04 -1.26 -1.28 135.00 142.03 1xeb s PRO 143 Ca 0.04 2.38 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1xeb s PRO 143 Cb -0.14 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1xeb s PRO 143 CO -0.07 -0.52 0.11 -1.01 0.04 0.00 0.00 177.00 175.55 1xeb s HIS 144 N 0.36 1.80 -0.25 0.56 3.76 0.31 -0.35 115.29 121.48 1xeb s HIS 144 Ca 0.63 -1.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.10 1xeb s HIS 144 Cb -0.44 -1.24 0.07 0.00 1.11 0.00 0.00 32.58 32.08 1xeb s HIS 144 CO 0.40 -0.21 0.66 -1.50 -0.85 0.00 0.00 174.74 173.25 1xeb s ILE 145 N -3.15 -0.00 0.95 0.60 2.07 0.15 -1.16 121.20 120.67 1xeb s ILE 145 Ca 0.21 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.30 1xeb s ILE 145 Cb 0.02 -0.92 0.18 0.00 0.13 0.00 0.00 42.46 41.87 1xeb s ILE 145 CO 0.13 0.00 1.27 -0.83 -1.91 0.00 0.00 174.94 173.60 1xeb s GLY 146 N 0.54 1.72 -0.09 1.50 0.00 -1.26 -0.80 107.32 108.93 1xeb s GLY 146 Ca -0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 1xeb s GLY 146 CO -0.02 -0.33 0.87 1.09 0.00 0.00 0.00 173.10 174.71 1xeb s ARG 148 N -5.77 0.80 -0.23 2.90 1.70 0.06 -0.11 118.95 118.30 1xeb s ARG 148 Ca 0.71 0.08 0.01 0.00 -0.47 0.00 0.00 55.73 56.07 1xeb s ARG 148 Cb -0.06 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1xeb s ARG 148 CO 0.53 -0.27 -0.13 0.50 -1.08 0.00 0.00 175.30 174.84 1xeb s ARG 149 N -1.56 2.66 0.00 3.89 3.52 0.13 -0.81 118.95 126.78 1xeb s ARG 149 Ca -0.03 -1.07 0.10 0.00 -0.13 0.00 0.00 55.73 54.59 1xeb s ARG 149 Cb -0.00 -2.80 0.58 0.00 -1.56 0.00 0.00 34.95 31.17 1xeb s ARG 149 CO 0.02 -0.40 1.02 0.00 -0.81 0.00 0.00 175.30 175.13