#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 2.31 -0.36 2.46 2.96 -1.26 -4.97 118.68 119.81 1xeb s LEU 3 Ca 0.00 -0.69 -0.17 0.00 -0.22 0.00 0.00 54.13 53.04 1xeb s LEU 3 Cb 0.00 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.43 1xeb s LEU 3 CO 0.00 0.20 0.46 -0.62 -1.32 0.00 0.00 176.35 175.07 1xeb s ASP 4 N -1.85 6.26 -0.01 3.68 3.68 0.35 -4.89 116.67 123.89 1xeb s ASP 4 Ca 0.14 -0.20 -0.01 0.00 2.13 0.00 0.00 52.55 54.61 1xeb s ASP 4 Cb -0.10 -2.24 -0.04 0.00 -1.45 0.00 0.00 42.92 39.09 1xeb s ASP 4 CO 0.05 -0.46 0.07 0.26 0.13 0.00 0.00 175.17 175.22 1xeb s TRP 5 N 2.26 3.27 -0.21 -5.34 0.52 -1.26 0.73 118.94 118.91 1xeb s TRP 5 Ca 0.16 0.21 -0.18 0.00 0.02 0.00 0.00 56.10 56.31 1xeb s TRP 5 Cb -0.16 -1.74 0.06 0.00 -1.15 0.00 0.00 33.47 30.47 1xeb s TRP 5 CO 0.13 0.54 0.55 -0.08 0.02 0.00 0.00 176.95 178.11 1xeb s THR 6 N -1.16 -0.00 -0.26 2.01 -1.32 -1.26 -5.02 115.64 108.63 1xeb s THR 6 Ca 0.22 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.73 1xeb s THR 6 Cb -0.12 -0.77 0.06 0.00 -1.51 0.00 0.00 72.50 70.16 1xeb s THR 6 CO 0.12 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.44 1xeb s LYS 8 N 1.10 2.64 0.31 0.00 1.02 -0.24 -4.89 119.74 119.68 1xeb s LYS 8 Ca -0.08 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 1xeb s LYS 8 Cb -0.20 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1xeb s LYS 8 CO -0.05 0.65 1.18 -1.58 -0.92 0.00 0.00 175.35 174.62 1xeb s HIS 9 N -0.77 3.34 0.48 3.18 5.65 -1.26 -0.38 115.29 125.52 1xeb s HIS 9 Ca 0.12 1.59 0.27 0.00 0.25 0.00 0.00 55.06 57.29 1xeb s HIS 9 Cb -0.11 -3.43 1.34 0.00 -1.18 0.00 0.00 32.58 29.20 1xeb s HIS 9 CO 0.01 -1.08 1.83 1.12 -0.65 0.00 0.00 174.74 175.96 1xeb h HIS 10 N 3.51 0.27 0.00 3.88 -0.00 -1.70 0.73 115.15 121.84 1xeb h HIS 10 Ca -0.48 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 59.89 1xeb h HIS 10 Cb 1.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1xeb h HIS 10 CO 0.57 0.04 -0.07 0.00 -0.00 0.00 0.00 177.93 178.46 1xeb h ALA 11 N 1.54 1.25 -0.47 6.11 0.00 -1.89 -2.72 119.26 123.07 1xeb h ALA 11 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1xeb h ALA 11 Cb 1.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xeb h ALA 11 CO -0.12 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1xeb n ASP 12 N -3.53 3.09 -4.78 0.00 8.00 0.25 -4.97 116.55 114.60 1xeb n ASP 12 Ca -0.02 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 1xeb n ASP 12 Cb 0.20 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.26 4.02 0.49 0.64 1.43 -1.03 -4.97 118.68 118.00 1xeb s LEU 13 Ca 0.39 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 1xeb s LEU 13 Cb 0.21 -4.30 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1xeb s LEU 13 CO 0.29 -0.74 0.69 0.42 0.23 0.00 0.00 176.35 177.24 1xeb s THR 14 N -1.68 2.94 0.09 5.49 -4.23 -1.26 -4.95 115.64 112.03 1xeb s THR 14 Ca 0.62 -0.77 -0.25 0.00 -1.18 0.00 0.00 61.69 60.11 1xeb s THR 14 Cb -0.23 -3.05 -0.14 0.00 1.34 0.00 0.00 72.50 70.41 1xeb s THR 14 CO 0.29 -0.03 1.71 -0.07 -0.54 0.00 0.00 174.62 175.97 1xeb h LEU 15 N 0.31 -0.23 -0.74 4.79 3.38 -1.99 -2.08 115.31 118.75 1xeb h LEU 15 Ca -0.42 0.02 0.15 0.00 0.09 0.00 0.00 57.88 57.72 1xeb h LEU 15 Cb 1.29 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.00 1xeb h LEU 15 CO 0.50 -0.15 0.24 0.11 0.09 0.00 0.00 178.44 179.24 1xeb h LYS 16 N -0.22 0.34 -0.31 1.13 1.57 -1.98 0.14 116.57 117.23 1xeb h LYS 16 Ca -0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1xeb h LYS 16 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1xeb h LYS 16 CO 0.01 0.23 0.04 0.93 -0.57 0.00 0.00 179.45 180.08 1xeb h GLU 17 N 0.35 0.52 -0.02 3.15 5.08 -1.90 0.44 114.58 122.20 1xeb h GLU 17 Ca 0.42 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1xeb h GLU 17 Cb 0.68 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1xeb h GLU 17 CO -0.46 0.62 -0.12 1.25 -1.00 0.00 0.00 179.01 179.30 1xeb h LEU 18 N 0.34 -0.36 -0.05 1.33 6.46 -0.58 0.64 115.31 123.10 1xeb h LEU 18 Ca 0.09 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1xeb h LEU 18 Cb 0.36 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1xeb h LEU 18 CO 0.01 -0.17 -0.03 0.22 -0.62 0.00 0.00 178.44 177.85 1xeb h TYR 19 N -0.20 -0.07 -0.14 1.25 5.03 -0.67 0.52 116.97 122.70 1xeb h TYR 19 Ca 0.05 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1xeb h TYR 19 Cb 0.27 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 1xeb h TYR 19 CO -0.19 -0.05 -0.08 0.00 -1.32 0.00 0.00 178.16 176.52 1xeb h ALA 20 N 1.02 0.04 -0.21 1.82 0.00 0.38 0.37 119.26 122.68 1xeb h ALA 20 Ca 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xeb h ALA 20 Cb 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xeb h ALA 20 CO -0.07 -0.52 -0.23 1.37 0.00 0.00 0.00 179.25 179.80 1xeb h LEU 21 N -0.07 0.38 -0.67 0.00 8.10 -0.69 0.49 115.31 122.85 1xeb h LEU 21 Ca 0.08 -0.12 -0.09 0.00 0.11 0.00 0.00 57.88 57.86 1xeb h LEU 21 Cb 0.19 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1xeb h LEU 21 CO -0.18 0.62 -0.45 -0.07 -4.11 0.00 0.00 178.44 174.24 1xeb h LEU 22 N 0.34 0.00 -0.01 0.17 3.38 -0.26 -2.00 115.31 116.93 1xeb h LEU 22 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xeb h LEU 22 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xeb h LEU 22 CO 0.04 0.45 -0.02 -0.61 0.09 0.00 0.00 178.44 178.40 1xeb h GLN 23 N 0.00 0.03 -0.66 1.13 -0.00 0.62 -2.10 115.11 114.13 1xeb h GLN 23 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1xeb h GLN 23 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.52 1xeb h GLN 23 CO 0.06 0.57 0.31 1.25 0.00 0.00 0.00 178.83 181.01 1xeb h LEU 24 N -0.50 0.87 -0.66 -2.39 5.85 -0.92 -1.26 115.31 116.31 1xeb h LEU 24 Ca 0.00 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1xeb h LEU 24 Cb 0.56 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xeb h LEU 24 CO 0.00 0.77 0.17 0.03 -0.34 0.00 0.00 178.44 179.08 1xeb h ARG 25 N 0.92 1.05 -0.41 1.25 3.08 -1.40 -2.28 114.38 116.58 1xeb h ARG 25 Ca 0.22 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1xeb h ARG 25 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xeb h ARG 25 CO -0.03 0.93 -0.27 1.15 -1.07 0.00 0.00 179.97 180.68 1xeb h THR 26 N 0.97 1.27 -0.69 2.04 2.02 -1.22 0.19 112.91 117.49 1xeb h THR 26 Ca 0.21 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 66.01 1xeb h THR 26 Cb 0.35 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 1xeb h THR 26 CO -0.00 0.48 0.40 -0.08 0.37 0.00 0.00 175.52 176.69 1xeb h GLU 27 N 0.75 0.73 0.00 6.66 4.81 -1.02 -0.06 114.58 126.44 1xeb h GLU 27 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xeb h GLU 27 Cb 0.83 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1xeb h GLU 27 CO 0.07 0.48 -0.48 0.28 -0.73 0.00 0.00 179.01 178.64 1xeb h VAL 28 N 0.75 0.00 -0.15 0.32 2.07 -1.28 -1.70 116.25 116.25 1xeb h VAL 28 Ca 0.30 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xeb h VAL 28 Cb 0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1xeb h VAL 28 CO -0.16 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 177.20 1xeb h PHE 29 N -0.96 0.20 0.00 1.57 0.05 -0.75 -2.02 116.94 115.03 1xeb h PHE 29 Ca 0.00 -0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.54 1xeb h PHE 29 Cb 0.48 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.32 1xeb h PHE 29 CO -0.20 0.19 -1.77 0.28 -0.18 0.00 0.00 178.31 176.62 1xeb n VAL 30 N -4.44 1.45 0.04 -0.55 0.31 -0.58 -4.07 118.33 110.48 1xeb n VAL 30 Ca -0.01 -0.13 -0.02 0.00 -0.01 0.00 0.00 64.34 64.17 1xeb n VAL 30 Cb 0.13 -2.05 -0.01 0.00 -0.91 0.00 0.00 33.84 31.00 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 -0.93 0.00 0.00 2.52 2.07 -1.05 -0.58 116.25 118.28 1xeb h VAL 31 Ca -0.37 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1xeb h VAL 31 Cb 1.29 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1xeb h VAL 31 CO -0.22 0.00 -0.16 1.05 0.02 0.00 0.00 177.57 178.26 1xeb h GLU 32 N -0.42 0.00 -0.14 1.57 4.11 -1.31 -0.55 114.58 117.85 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xeb h GLU 32 CO 0.02 0.16 0.00 1.04 0.07 0.00 0.00 179.01 180.30 1xeb n GLN 33 N -4.18 1.79 -3.87 1.06 6.02 -0.76 -4.95 117.38 112.48 1xeb n GLN 33 Ca -0.02 -1.17 -0.36 0.00 -0.01 0.00 0.00 57.00 55.43 1xeb n GLN 33 Cb 0.23 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 30.09 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 0.40 -0.81 -3.63 -1.09 5.02 -0.22 -4.96 118.16 112.88 1xeb n LYS 34 Ca 0.17 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.54 1xeb n LYS 34 Cb 0.37 -3.08 -0.14 0.00 -0.02 0.00 0.00 35.03 32.16 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 4.56 2.17 -4.12 0.00 -0.04 -1.26 -4.35 135.00 131.96 1xeb n PRO 36 Ca 0.02 -1.96 -0.25 0.00 -0.04 0.00 0.00 63.50 61.26 1xeb n PRO 36 Cb 0.40 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 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 3.92 2.42 -1.21 0.54 1.13 -1.26 -5.04 117.35 117.84 1xeb s TYR 37 Ca 0.52 -0.65 -0.20 0.00 -1.41 0.00 0.00 57.07 55.33 1xeb s TYR 37 Cb 0.14 -1.94 0.03 0.00 -1.10 0.00 0.00 41.96 39.09 1xeb s TYR 37 CO 0.02 0.09 1.75 -1.14 -2.51 0.00 0.00 175.55 173.75 1xeb s GLN 38 N -3.96 3.53 0.42 -3.49 2.00 -1.26 -4.80 119.66 112.09 1xeb s GLN 38 Ca 0.38 -1.60 0.11 0.00 -2.00 0.00 0.00 55.36 52.24 1xeb s GLN 38 Cb 0.03 -5.42 0.93 0.00 0.80 0.00 0.00 33.01 29.34 1xeb s GLN 38 CO 0.21 -2.70 2.00 1.49 -0.50 0.00 0.00 175.29 175.80 1xeb h GLU 39 N 8.55 0.49 -4.69 1.67 4.57 -1.96 -3.17 114.58 120.04 1xeb h GLU 39 Ca 0.34 -0.03 -0.74 0.00 -1.18 0.00 0.00 59.36 57.76 1xeb h GLU 39 Cb 0.91 -0.11 -0.18 0.00 -0.16 0.00 0.00 28.75 29.21 1xeb h GLU 39 CO 1.39 0.33 1.23 0.08 -1.18 0.00 0.00 179.01 180.86 1xeb s VAL 40 N -5.47 5.08 -2.00 0.32 1.01 -1.26 -4.83 120.40 113.25 1xeb s VAL 40 Ca -0.08 -2.60 0.29 0.00 0.00 0.00 0.00 61.98 59.59 1xeb s VAL 40 Cb 0.19 -4.88 0.82 0.00 0.00 0.00 0.00 36.38 32.51 1xeb s VAL 40 CO 0.75 -1.58 2.11 -0.90 0.00 0.00 0.00 175.10 175.48 1xeb n ASP 41 N 5.51 0.01 0.00 3.32 3.85 -1.20 -4.92 116.55 123.12 1xeb n ASP 41 Ca 0.34 -1.10 0.00 0.00 -0.71 0.00 0.00 54.79 53.32 1xeb n ASP 41 Cb 0.43 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.20 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 0.95 0.72 0.95 6.12 0.00 -1.26 -4.86 105.19 107.81 1xeb n GLY 42 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 2.94 0.04 0.99 4.77 -1.26 -4.50 117.00 119.98 1xeb n LEU 43 Ca 0.00 -1.04 -0.16 0.00 -0.03 0.00 0.00 56.01 54.78 1xeb n LEU 43 Cb 0.02 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1xeb n LEU 43 CO 0.00 0.52 0.18 0.44 -1.33 0.00 0.00 177.39 177.21 1xeb h ASP 44 N 4.44 0.74 -1.02 -1.43 3.45 -1.98 -3.36 116.42 117.26 1xeb h ASP 44 Ca 0.00 -0.56 -0.59 0.00 0.43 0.00 0.00 57.03 56.32 1xeb h ASP 44 Cb 0.95 -0.22 -0.40 0.00 -0.56 0.00 0.00 39.33 39.09 1xeb h ASP 44 CO 0.00 1.35 -0.50 0.18 -1.57 0.00 0.00 179.24 178.70 1xeb n LEU 45 N -3.83 5.34 -4.34 1.55 4.77 -1.26 -4.76 117.00 114.46 1xeb n LEU 45 Ca -0.08 -4.81 -0.20 0.00 -0.03 0.00 0.00 56.01 50.89 1xeb n LEU 45 Cb 0.82 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1xeb n LEU 45 CO 0.53 2.05 -0.45 0.68 -1.33 0.00 0.00 177.39 178.86 1xeb s VAL 46 N -4.88 1.77 0.00 4.08 -7.23 -1.26 -5.01 120.40 107.87 1xeb s VAL 46 Ca 0.52 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1xeb s VAL 46 Cb 0.42 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1xeb s VAL 46 CO -0.04 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.86 1xeb n GLY 47 N -0.16 2.63 1.70 2.32 0.00 -1.26 -2.11 105.19 108.30 1xeb n GLY 47 Ca -0.10 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 4.25 3.38 -4.76 1.61 8.00 -1.26 -4.94 116.55 122.83 1xeb n ASP 48 Ca 0.00 -3.47 -0.41 0.00 0.71 0.00 0.00 54.79 51.62 1xeb n ASP 48 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 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 -3.84 2.89 0.23 -3.53 -4.23 -0.90 -4.39 115.64 101.87 1xeb s THR 49 Ca 0.43 0.83 0.08 0.00 -1.18 0.00 0.00 61.69 61.86 1xeb s THR 49 Cb 0.39 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 1xeb s THR 49 CO -0.01 0.17 0.04 -1.00 -0.54 0.00 0.00 174.62 173.28 1xeb s HIS 50 N -0.69 2.84 -0.14 3.99 3.76 -0.46 -2.02 115.29 122.56 1xeb s HIS 50 Ca 0.52 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1xeb s HIS 50 Cb -0.39 -1.30 0.02 0.00 1.11 0.00 0.00 32.58 32.02 1xeb s HIS 50 CO 0.47 0.57 -0.15 -1.01 -0.85 0.00 0.00 174.74 173.76 1xeb s HIS 51 N -2.08 2.23 0.29 1.40 3.76 0.49 -1.32 115.29 120.05 1xeb s HIS 51 Ca 0.30 -1.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1xeb s HIS 51 Cb -0.08 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 1xeb s HIS 51 CO 0.21 -0.65 0.44 -1.17 -0.85 0.00 0.00 174.74 172.71 1xeb s LEU 52 N 1.35 4.16 -0.30 0.89 2.96 -0.41 -1.08 118.68 126.25 1xeb s LEU 52 Ca 0.02 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.00 1xeb s LEU 52 Cb -0.13 -2.97 0.18 0.00 0.50 0.00 0.00 46.19 43.77 1xeb s LEU 52 CO -0.09 -0.21 0.84 0.00 -1.32 0.00 0.00 176.35 175.57 1xeb s ALA 54 N -2.12 -2.90 -0.01 5.97 0.00 -0.25 -1.78 121.76 120.67 1xeb s ALA 54 Ca 0.38 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.97 1xeb s ALA 54 Cb -0.09 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1xeb s ALA 54 CO 0.31 -1.40 0.02 -1.58 0.00 0.00 0.00 175.76 173.11 1xeb s TRP 55 N 2.91 3.12 -0.09 0.00 0.52 0.22 -1.12 118.94 124.51 1xeb s TRP 55 Ca 0.09 0.12 -0.06 0.00 0.02 0.00 0.00 56.10 56.27 1xeb s TRP 55 Cb -0.12 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1xeb s TRP 55 CO -0.16 0.48 0.21 0.50 0.02 0.00 0.00 176.95 178.00 1xeb s ARG 56 N -1.49 0.21 -1.31 4.98 3.52 -0.46 -0.49 118.95 123.90 1xeb s ARG 56 Ca 0.19 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1xeb s ARG 56 Cb -0.12 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1xeb s ARG 56 CO 0.10 -0.10 0.05 -0.25 -0.81 0.00 0.00 175.30 174.29 1xeb n ASP 57 N 3.63 0.54 0.00 -2.12 8.00 -1.26 0.52 116.55 125.86 1xeb n ASP 57 Ca -0.19 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1xeb n ASP 57 Cb 0.55 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 -2.16 0.29 3.53 0.44 0.00 -1.26 -5.01 105.19 101.01 1xeb n GLY 58 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.85 2.34 -0.41 1.61 -0.21 0.18 -5.08 119.66 117.24 1xeb s GLN 59 Ca 0.00 -0.84 -0.20 0.00 0.02 0.00 0.00 55.36 54.35 1xeb s GLN 59 Cb 0.00 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.67 1xeb s GLN 59 CO 0.00 0.58 0.59 -1.17 -2.12 0.00 0.00 175.29 173.16 1xeb s LEU 60 N -1.39 4.52 -0.16 2.90 1.98 -1.26 -1.35 118.68 123.91 1xeb s LEU 60 Ca 0.16 -0.30 0.13 0.00 -2.89 0.00 0.00 54.13 51.22 1xeb s LEU 60 Cb -0.11 -2.65 -0.23 0.00 0.66 0.00 0.00 46.19 43.85 1xeb s LEU 60 CO 0.06 -0.68 0.21 0.18 -1.89 0.00 0.00 176.35 174.23 1xeb n LEU 61 N 6.05 0.81 -3.87 -0.68 4.77 -0.27 -4.76 117.00 119.04 1xeb n LEU 61 Ca -0.03 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1xeb n LEU 61 Cb 0.48 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1xeb n LEU 61 CO 0.51 0.55 -0.16 0.00 -1.33 0.00 0.00 177.39 176.96 1xeb s ALA 62 N -2.53 -0.30 0.08 -1.18 0.00 -1.18 0.68 121.76 117.33 1xeb s ALA 62 Ca -0.13 -0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 1xeb s ALA 62 Cb 0.07 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.44 1xeb s ALA 62 CO 0.79 -0.26 0.71 -0.47 0.00 0.00 0.00 175.76 176.53 1xeb s TYR 63 N -1.83 -0.49 0.13 0.00 5.04 0.09 -1.09 117.35 119.20 1xeb s TYR 63 Ca -0.11 0.39 -0.24 0.00 -2.44 0.00 0.00 57.07 54.68 1xeb s TYR 63 Cb -0.05 0.53 0.07 0.00 0.35 0.00 0.00 41.96 42.86 1xeb s TYR 63 CO -0.00 -0.72 0.60 -0.48 -1.34 0.00 0.00 175.55 173.61 1xeb s LEU 64 N -2.44 -0.54 -0.02 6.97 0.05 -0.73 -0.56 118.68 121.40 1xeb s LEU 64 Ca 0.01 0.08 0.08 0.00 0.05 0.00 0.00 54.13 54.34 1xeb s LEU 64 Cb -0.01 2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 46.68 1xeb s LEU 64 CO -0.09 -0.92 -0.26 -0.60 -0.55 0.00 0.00 176.35 173.93 1xeb s ARG 65 N -3.44 2.14 -0.21 1.48 3.52 0.03 -1.29 118.95 121.17 1xeb s ARG 65 Ca -0.00 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 1xeb s ARG 65 Cb -0.01 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1xeb s ARG 65 CO -0.10 0.53 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.33 1xeb s LEU 66 N -0.55 2.75 -0.11 -0.88 1.02 -0.44 -1.48 118.68 118.99 1xeb s LEU 66 Ca 0.08 -0.53 -0.17 0.00 0.02 0.00 0.00 54.13 53.53 1xeb s LEU 66 Cb -0.10 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 1xeb s LEU 66 CO -0.00 -0.03 0.45 -0.76 0.02 0.00 0.00 176.35 176.02 1xeb s LEU 67 N 1.41 4.30 0.61 1.79 1.02 0.12 -1.35 118.68 126.58 1xeb s LEU 67 Ca 0.05 0.80 -0.18 0.00 0.02 0.00 0.00 54.13 54.82 1xeb s LEU 67 Cb -0.14 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 1xeb s LEU 67 CO -0.06 0.06 1.17 1.51 0.02 0.00 0.00 176.35 179.05 1xeb s ASP 68 N 0.36 5.22 0.41 2.29 -4.77 -1.26 -1.15 116.67 117.77 1xeb s ASP 68 Ca 0.25 2.25 0.21 0.00 -3.30 0.00 0.00 52.55 51.96 1xeb s ASP 68 Cb -0.15 -2.58 0.83 0.00 -1.09 0.00 0.00 42.92 39.92 1xeb s ASP 68 CO 0.10 -1.57 1.80 1.55 0.70 0.00 0.00 175.17 177.75 1xeb h PRO 69 N 0.69 0.00 0.00 2.11 0.13 -1.90 -3.07 132.00 129.97 1xeb h PRO 69 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xeb h PRO 69 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xeb h PRO 69 CO 0.55 0.30 0.00 -0.39 -0.23 0.00 0.00 178.00 178.22 1xeb h VAL 70 N 0.00 0.00 -0.02 1.56 -1.51 -1.94 -1.62 116.25 112.72 1xeb h VAL 70 Ca -0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1xeb h VAL 70 Cb 0.79 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1xeb h VAL 70 CO 0.04 0.00 -0.27 0.54 -1.23 0.00 0.00 177.57 176.65 1xeb n ARG 71 N -2.82 1.43 -2.88 5.19 1.74 -1.19 -4.47 116.66 113.65 1xeb n ARG 71 Ca 0.02 -1.10 -0.16 0.00 -0.77 0.00 0.00 57.85 55.85 1xeb n ARG 71 Cb 0.35 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.17 1.17 -4.26 -1.55 8.25 -0.89 -5.01 115.22 113.10 1xeb n HIS 72 Ca 0.12 -3.33 -0.31 0.00 -0.26 0.00 0.00 57.72 53.94 1xeb n HIS 72 Cb 0.46 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 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 0.03 -1.58 -1.05 -0.41 4.71 -1.18 -1.75 120.64 119.41 1xeb n GLU 73 Ca 0.20 0.18 -0.02 0.00 -0.01 0.00 0.00 57.16 57.51 1xeb n GLU 73 Cb 0.71 -4.02 -0.01 0.00 -1.01 0.00 0.00 31.44 27.12 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 -2.21 0.52 2.97 0.62 0.00 -0.66 -5.04 105.19 101.39 1xeb n GLY 74 Ca -0.25 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.65 0.96 0.01 1.61 -0.21 -0.72 -4.26 119.66 115.40 1xeb s GLN 75 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.36 54.88 1xeb s GLN 75 Cb 0.00 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 33.07 1xeb s GLN 75 CO 0.00 0.04 0.78 0.14 -2.12 0.00 0.00 175.29 174.13 1xeb s VAL 76 N 0.44 4.83 -0.17 1.09 -7.23 -0.65 -3.93 120.40 114.78 1xeb s VAL 76 Ca -0.07 1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 61.66 1xeb s VAL 76 Cb -0.11 -4.13 -0.05 0.00 0.56 0.00 0.00 36.38 32.66 1xeb s VAL 76 CO 0.01 0.31 0.12 -0.69 -0.31 0.00 0.00 175.10 174.53 1xeb s VAL 77 N 0.32 5.34 -0.20 1.32 1.01 -0.30 -0.64 120.40 127.24 1xeb s VAL 77 Ca 0.40 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 1xeb s VAL 77 Cb -0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1xeb s VAL 77 CO 0.22 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.25 1xeb s ILE 78 N -0.10 4.53 0.30 2.22 1.01 0.31 0.14 121.20 129.60 1xeb s ILE 78 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1xeb s ILE 78 Cb -0.11 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1xeb s ILE 78 CO 0.00 0.42 0.46 -0.83 0.00 0.00 0.00 174.94 174.99 1xeb s GLY 79 N 0.83 1.07 -1.53 6.18 0.00 -0.55 -4.39 107.32 108.93 1xeb s GLY 79 Ca 0.03 -1.26 -0.13 0.00 0.00 0.00 0.00 44.72 43.36 1xeb s GLY 79 CO 0.02 -0.86 0.96 0.54 0.00 0.00 0.00 173.10 173.76 1xeb n ARG 80 N -0.47 -5.36 -2.19 2.90 5.12 -1.26 -0.79 116.66 114.60 1xeb n ARG 80 Ca -0.00 0.58 -0.42 0.00 -1.93 0.00 0.00 57.85 56.08 1xeb n ARG 80 Cb 0.62 -5.45 -0.03 0.00 -1.16 0.00 0.00 32.46 26.45 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 -3.33 3.76 0.09 1.55 1.01 -1.26 -4.06 120.40 118.16 1xeb s VAL 81 Ca 0.63 1.06 -0.18 0.00 0.00 0.00 0.00 61.98 63.49 1xeb s VAL 81 Cb -0.32 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1xeb s VAL 81 CO 0.84 -0.04 0.44 0.54 0.00 0.00 0.00 175.10 176.87 1xeb s VAL 82 N 3.02 0.05 0.00 2.92 0.11 0.28 -5.01 120.40 121.79 1xeb s VAL 82 Ca 0.65 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 59.12 1xeb s VAL 82 Cb -0.30 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1xeb s VAL 82 CO 0.25 -0.24 0.28 -0.94 -3.33 0.00 0.00 175.10 171.12 1xeb s SER 83 N -2.39 -0.14 0.36 3.54 1.04 -1.26 -0.73 113.70 114.12 1xeb s SER 83 Ca -0.01 -0.03 -0.28 0.00 0.48 0.00 0.00 55.95 56.10 1xeb s SER 83 Cb 0.00 0.31 -0.11 0.00 0.10 0.00 0.00 66.02 66.32 1xeb s SER 83 CO -0.07 -0.48 1.44 -0.55 0.98 0.00 0.00 173.24 174.56 1xeb s SER 84 N -1.53 6.46 0.28 7.02 0.15 0.21 -4.77 113.70 121.51 1xeb s SER 84 Ca -0.11 2.95 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1xeb s SER 84 Cb -0.04 -2.66 0.64 0.00 -1.71 0.00 0.00 66.02 62.25 1xeb s SER 84 CO 0.02 -0.78 1.66 -1.28 1.20 0.00 0.00 173.24 174.06 1xeb h SER 85 N 3.20 0.02 0.04 5.45 0.87 -1.98 0.15 113.55 121.29 1xeb h SER 85 Ca -0.50 0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.17 1xeb h SER 85 Cb 1.23 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1xeb h SER 85 CO 0.65 -0.11 -0.21 0.00 -0.53 0.00 0.00 176.83 176.63 1xeb h ALA 86 N 1.73 1.32 -0.62 6.23 0.00 -1.97 -3.11 119.26 122.84 1xeb h ALA 86 Ca 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xeb h ALA 86 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xeb h ALA 86 CO -0.61 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1xeb n ALA 87 N -2.48 2.33 -2.13 0.00 0.00 0.32 -5.19 120.51 113.35 1xeb n ALA 87 Ca -0.01 -1.26 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 1xeb n ALA 87 Cb 0.34 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1xeb n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xeb s ARG 88 N -1.01 2.94 0.00 0.00 3.52 -0.04 -4.85 118.95 119.51 1xeb s ARG 88 Ca 0.42 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 1xeb s ARG 88 Cb 0.22 -4.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 1xeb s ARG 88 CO 0.28 -2.36 0.09 1.04 -0.81 0.00 0.00 175.30 173.54 1xeb n GLN 90 N 8.92 3.74 0.23 5.12 1.13 -1.26 -4.99 117.38 130.27 1xeb n GLN 90 Ca 0.19 -0.09 0.11 0.00 -1.94 0.00 0.00 57.00 55.27 1xeb n GLN 90 Cb 0.50 -0.48 0.47 0.00 0.11 0.00 0.00 30.24 30.84 1xeb n GLN 90 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1xeb h GLY 91 N 0.00 0.00 1.00 1.08 0.00 -1.99 -2.65 103.07 100.50 1xeb h GLY 91 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1xeb h GLY 91 CO 0.00 0.00 0.25 -2.00 0.00 0.00 0.00 176.54 174.79 1xeb h LEU 92 N 0.00 0.82 -0.88 3.11 6.46 -1.94 0.83 115.31 123.71 1xeb h LEU 92 Ca -0.00 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1xeb h LEU 92 Cb 0.74 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1xeb h LEU 92 CO 0.03 0.76 0.53 1.23 -0.62 0.00 0.00 178.44 180.37 1xeb h GLY 93 N 0.83 1.28 1.36 3.75 0.00 -1.86 0.50 103.07 108.92 1xeb h GLY 93 Ca 0.20 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 1xeb h GLY 93 CO -0.02 0.51 -0.50 0.45 0.00 0.00 0.00 176.54 176.98 1xeb h HIS 94 N 1.21 0.84 -0.36 5.60 3.86 -1.26 -2.96 115.15 122.08 1xeb h HIS 94 Ca 0.32 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xeb h HIS 94 Cb -0.05 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1xeb h HIS 94 CO -0.00 1.04 0.21 1.96 0.86 0.00 0.00 177.93 182.00 1xeb h GLN 95 N 0.54 0.49 -0.03 2.45 1.08 0.15 -1.15 115.11 118.64 1xeb h GLN 95 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1xeb h GLN 95 Cb 1.06 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1xeb h GLN 95 CO 0.10 0.39 0.00 1.28 -0.95 0.00 0.00 178.83 179.65 1xeb n LEU 96 N -4.78 0.03 0.00 1.46 4.77 0.17 -2.41 117.00 116.23 1xeb n LEU 96 Ca -0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1xeb n LEU 96 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xeb n LEU 96 CO 0.35 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.63 1xeb n GLU 98 N 0.37 0.00 0.13 3.23 2.13 -0.44 -1.66 120.64 124.40 1xeb n GLU 98 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xeb n GLU 98 Cb 0.01 0.00 0.30 0.00 0.27 0.00 0.00 31.44 32.02 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 0.17 -0.16 5.31 3.08 -1.72 -1.21 114.38 119.85 1xeb h ARG 99 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1xeb h ARG 99 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1xeb h ARG 99 CO 0.00 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 1xeb h ALA 100 N 1.52 0.21 -0.75 0.04 0.00 -1.59 0.42 119.26 119.12 1xeb h ALA 100 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xeb h ALA 100 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xeb h ALA 100 CO 0.05 -0.09 0.39 -0.07 0.00 0.00 0.00 179.25 179.53 1xeb h LEU 101 N 0.02 0.95 -0.13 0.00 4.07 -1.79 0.31 115.31 118.74 1xeb h LEU 101 Ca 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1xeb h LEU 101 Cb 0.37 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1xeb h LEU 101 CO 0.01 0.80 0.06 -0.61 -1.08 0.00 0.00 178.44 177.61 1xeb h GLN 102 N 1.04 0.19 -0.46 1.13 4.15 -1.07 -1.11 115.11 118.98 1xeb h GLN 102 Ca 0.26 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1xeb h GLN 102 Cb 0.07 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1xeb h GLN 102 CO -0.04 0.26 0.30 0.00 -1.93 0.00 0.00 178.83 177.43 1xeb h ALA 103 N 0.92 0.58 -0.49 3.38 0.00 -0.67 -1.47 119.26 121.51 1xeb h ALA 103 Ca 0.04 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xeb h ALA 103 Cb 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1xeb h ALA 103 CO -0.00 0.04 0.17 0.00 0.00 0.00 0.00 179.25 179.45 1xeb h ALA 104 N 1.16 0.59 -0.42 0.00 0.00 -0.73 0.15 119.26 120.02 1xeb h ALA 104 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xeb h ALA 104 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xeb h ALA 104 CO -0.04 -0.22 0.15 1.49 0.00 0.00 0.00 179.25 180.64 1xeb h GLU 105 N 0.35 0.63 -0.01 0.00 4.81 -0.78 0.10 114.58 119.68 1xeb h GLU 105 Ca 0.23 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1xeb h GLU 105 Cb 0.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1xeb h GLU 105 CO -0.24 0.60 -0.62 0.07 -0.73 0.00 0.00 179.01 178.10 1xeb h ARG 106 N 0.53 0.02 0.05 1.92 0.11 -0.77 -1.64 114.38 114.59 1xeb h ARG 106 Ca 0.14 -0.02 -0.27 0.00 0.10 0.00 0.00 59.98 59.93 1xeb h ARG 106 Cb 0.22 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.27 1xeb h ARG 106 CO -0.01 0.63 -1.41 -0.07 0.10 0.00 0.00 179.97 179.21 1xeb h LEU 107 N 0.02 0.16 -5.36 0.08 3.38 -0.60 -3.41 115.31 109.57 1xeb h LEU 107 Ca -0.01 -0.22 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 1xeb h LEU 107 Cb 1.10 -0.05 -0.37 0.00 0.09 0.00 0.00 40.66 41.43 1xeb h LEU 107 CO 0.08 1.18 -1.12 0.79 0.09 0.00 0.00 178.44 179.47 1xeb n TRP 108 N -3.31 0.42 -0.99 1.13 8.01 0.34 -5.08 117.44 117.97 1xeb n TRP 108 Ca -0.11 -3.09 -0.39 0.00 -1.31 0.00 0.00 57.50 52.61 1xeb n TRP 108 Cb 1.01 -0.19 -0.06 0.00 -2.01 0.00 0.00 31.31 30.06 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 0.05 0.44 0.00 -0.99 7.94 -0.62 -0.64 117.00 123.18 1xeb n LEU 109 Ca 0.14 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 1xeb n LEU 109 Cb 0.76 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1xeb n LEU 109 CO 0.22 -0.75 0.00 0.47 -1.11 0.00 0.00 177.39 176.22 1xeb n ASP 110 N 1.81 -1.85 -4.72 1.96 10.43 -1.26 -5.01 116.55 117.91 1xeb n ASP 110 Ca 0.16 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 57.13 1xeb n ASP 110 Cb -0.00 -1.15 -0.05 0.00 1.84 0.00 0.00 41.12 41.76 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 -2.38 5.07 0.84 -3.53 2.01 0.19 -5.04 115.64 112.80 1xeb s THR 111 Ca 0.00 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.25 1xeb s THR 111 Cb 0.00 -4.00 0.10 0.00 0.01 0.00 0.00 72.50 68.61 1xeb s THR 111 CO 0.00 0.26 1.15 -2.16 -0.69 0.00 0.00 174.62 173.18 1xeb s PRO 112 N 0.77 1.54 -0.09 4.92 0.04 -1.26 -4.76 135.00 136.16 1xeb s PRO 112 Ca 0.36 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1xeb s PRO 112 Cb -0.17 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1xeb s PRO 112 CO 0.17 -2.24 -0.13 0.08 0.04 0.00 0.00 177.00 174.92 1xeb s VAL 113 N -2.55 3.17 0.10 -0.36 1.01 -0.26 -1.64 120.40 119.86 1xeb s VAL 113 Ca 0.67 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1xeb s VAL 113 Cb -0.23 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1xeb s VAL 113 CO 0.55 0.56 -0.26 -0.47 0.00 0.00 0.00 175.10 175.48 1xeb s TYR 114 N -0.29 2.20 0.01 5.22 6.14 0.18 -0.15 117.35 130.67 1xeb s TYR 114 Ca 0.03 -0.39 -0.18 0.00 0.64 0.00 0.00 57.07 57.17 1xeb s TYR 114 Cb -0.13 -1.23 0.03 0.00 0.42 0.00 0.00 41.96 41.06 1xeb s TYR 114 CO 0.03 0.26 0.39 -0.48 0.64 0.00 0.00 175.55 176.38 1xeb s LEU 115 N -1.81 0.52 -0.46 6.97 -0.00 -1.26 -0.53 118.68 122.11 1xeb s LEU 115 Ca 0.12 0.08 -0.12 0.00 -0.00 0.00 0.00 54.13 54.21 1xeb s LEU 115 Cb -0.10 1.60 0.09 0.00 -0.00 0.00 0.00 46.19 47.78 1xeb s LEU 115 CO 0.05 -0.57 0.35 -0.55 -0.00 0.00 0.00 176.35 175.62 1xeb s SER 116 N -1.68 5.87 0.09 1.48 0.15 -1.26 -4.50 113.70 113.84 1xeb s SER 116 Ca -0.09 -1.57 -0.01 0.00 0.70 0.00 0.00 55.95 54.98 1xeb s SER 116 Cb -0.02 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1xeb s SER 116 CO 0.01 -0.64 0.27 0.00 1.20 0.00 0.00 173.24 174.08 1xeb s ALA 117 N 1.50 3.94 0.04 5.45 0.00 -0.37 -4.89 121.76 127.43 1xeb s ALA 117 Ca 0.04 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.91 1xeb s ALA 117 Cb -0.25 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1xeb s ALA 117 CO 0.03 0.75 1.33 -0.65 0.00 0.00 0.00 175.76 177.22 1xeb s GLN 118 N -2.63 4.34 0.37 0.00 -0.21 -1.26 0.03 119.66 120.30 1xeb s GLN 118 Ca 0.37 1.92 0.12 0.00 0.02 0.00 0.00 55.36 57.79 1xeb s GLN 118 Cb -0.13 -3.42 0.93 0.00 1.00 0.00 0.00 33.01 31.39 1xeb s GLN 118 CO 0.27 -0.44 1.82 0.00 -2.12 0.00 0.00 175.29 174.82 1xeb h ALA 119 N 7.25 1.97 0.00 6.09 0.00 -0.95 -1.37 119.26 132.26 1xeb h ALA 119 Ca -0.40 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1xeb h ALA 119 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xeb h ALA 119 CO 0.87 -0.30 -0.03 1.12 0.00 0.00 0.00 179.25 180.91 1xeb h HIS 120 N 0.57 0.00 -1.36 0.00 2.07 -1.90 -2.58 115.15 111.96 1xeb h HIS 120 Ca 0.52 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 57.43 1xeb h HIS 120 Cb 1.05 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.63 1xeb h HIS 120 CO -0.00 0.03 -0.46 1.47 -3.07 0.00 0.00 177.93 175.90 1xeb n LEU 121 N -3.43 5.24 0.09 6.12 -0.00 -0.52 -4.72 117.00 119.79 1xeb n LEU 121 Ca -0.02 -5.01 -0.07 0.00 -0.00 0.00 0.00 56.01 50.91 1xeb n LEU 121 Cb 0.14 -0.53 0.01 0.00 -0.00 0.00 0.00 43.42 43.05 1xeb n LEU 121 CO 0.25 2.11 0.29 -0.61 -0.00 0.00 0.00 177.39 179.44 1xeb h GLN 122 N 2.50 0.11 0.00 1.47 4.15 -1.53 -3.15 115.11 118.67 1xeb h GLN 122 Ca 0.36 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 1xeb h GLN 122 Cb 0.97 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1xeb h GLN 122 CO 0.93 0.88 -0.39 0.00 -1.93 0.00 0.00 178.83 178.33 1xeb h ALA 123 N 1.07 1.04 -0.41 3.38 0.00 -1.85 -1.93 119.26 120.56 1xeb h ALA 123 Ca -0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1xeb h ALA 123 Cb 1.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1xeb h ALA 123 CO 0.12 0.49 -0.19 -0.92 0.00 0.00 0.00 179.25 178.75 1xeb h TYR 124 N 0.00 0.98 0.00 0.00 5.03 -1.91 -2.99 116.97 118.09 1xeb h TYR 124 Ca -0.00 -0.24 -0.12 0.00 2.58 0.00 0.00 58.73 60.94 1xeb h TYR 124 Cb 0.87 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1xeb h TYR 124 CO 0.00 1.01 -0.59 1.88 -1.32 0.00 0.00 178.16 179.15 1xeb h TYR 125 N 0.67 0.00 -0.89 -3.82 0.05 -1.55 -3.22 116.97 108.22 1xeb h TYR 125 Ca 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1xeb h TYR 125 Cb 0.75 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 1xeb h TYR 125 CO 0.06 0.59 0.55 0.78 -1.05 0.00 0.00 178.16 179.08 1xeb h GLY 126 N 2.98 1.28 2.00 3.88 0.00 -1.25 -1.35 103.07 110.61 1xeb h GLY 126 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1xeb h GLY 126 CO 0.08 0.50 0.00 3.21 0.00 0.00 0.00 176.54 180.33 1xeb h ARG 127 N 1.23 0.00 -0.48 4.80 3.08 -1.53 0.15 114.38 121.63 1xeb h ARG 127 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1xeb h ARG 127 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xeb h ARG 127 CO -0.06 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.50 1xeb n TYR 128 N -2.85 0.63 -0.19 3.04 4.01 -0.56 -4.92 117.16 116.32 1xeb n TYR 128 Ca -0.02 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1xeb n TYR 128 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.48 0.71 3.80 2.72 0.00 0.54 -5.04 105.19 109.41 1xeb n GLY 129 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.24 3.49 -0.03 1.61 0.08 -0.89 -4.53 117.98 115.46 1xeb s PHE 130 Ca 0.00 1.68 0.02 0.00 0.12 0.00 0.00 56.93 58.74 1xeb s PHE 130 Cb 0.00 -2.87 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1xeb s PHE 130 CO 0.00 0.04 -0.07 0.08 -0.10 0.00 0.00 175.22 175.17 1xeb s VAL 131 N -1.92 0.66 0.43 -0.44 1.01 -0.78 -4.04 120.40 115.32 1xeb s VAL 131 Ca 0.56 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1xeb s VAL 131 Cb -0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 1xeb s VAL 131 CO 0.18 0.23 1.16 0.00 0.00 0.00 0.00 175.10 176.67 1xeb n ALA 132 N 3.60 0.82 -0.82 5.51 0.00 -1.26 -1.47 120.51 126.88 1xeb n ALA 132 Ca -0.21 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1xeb n ALA 132 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1xeb n ALA 132 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xeb n VAL 133 N -0.39 0.07 -4.10 0.00 0.24 -0.27 -4.84 118.33 109.05 1xeb n VAL 133 Ca 0.08 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1xeb n VAL 133 Cb 0.40 1.44 -0.08 0.00 -1.47 0.00 0.00 33.84 34.12 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 -0.07 0.02 0.75 3.34 -4.23 -1.23 -4.98 115.64 109.24 1xeb s THR 134 Ca 0.00 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1xeb s THR 134 Cb 0.00 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.64 1xeb s THR 134 CO 0.00 -0.11 1.12 -0.70 -0.54 0.00 0.00 174.62 174.39 1xeb s GLU 135 N -4.08 2.33 0.31 3.99 2.56 -1.26 -4.55 118.70 118.01 1xeb s GLU 135 Ca 0.29 0.17 -0.28 0.00 0.00 0.00 0.00 54.97 55.15 1xeb s GLU 135 Cb 0.04 -2.02 -0.09 0.00 2.00 0.00 0.00 34.13 34.06 1xeb s GLU 135 CO 0.08 -1.32 1.08 0.54 -0.56 0.00 0.00 175.26 175.08 1xeb s VAL 136 N -3.43 3.55 0.27 3.70 0.11 -1.26 -4.50 120.40 118.85 1xeb s VAL 136 Ca 0.60 1.47 0.02 0.00 -2.93 0.00 0.00 61.98 61.14 1xeb s VAL 136 Cb -0.11 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1xeb s VAL 136 CO 0.49 0.28 0.13 -0.72 -3.33 0.00 0.00 175.10 171.96 1xeb s TYR 137 N -1.28 1.51 -0.03 1.54 -0.85 -0.18 -4.95 117.35 113.11 1xeb s TYR 137 Ca 0.47 -1.31 -0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1xeb s TYR 137 Cb -0.29 -0.82 -0.04 0.00 0.38 0.00 0.00 41.96 41.19 1xeb s TYR 137 CO 0.38 -0.48 0.06 -0.51 -1.52 0.00 0.00 175.55 173.48 1xeb s LEU 138 N -3.32 3.85 -0.48 -3.49 1.02 -1.26 0.10 118.68 115.10 1xeb s LEU 138 Ca 0.37 0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.72 1xeb s LEU 138 Cb 0.06 -2.15 0.16 0.00 0.02 0.00 0.00 46.19 44.28 1xeb s LEU 138 CO 0.15 0.30 0.34 -0.70 0.02 0.00 0.00 176.35 176.47 1xeb s GLU 139 N -1.50 1.33 -0.47 1.70 2.12 -0.93 -4.77 118.70 116.18 1xeb s GLU 139 Ca 0.20 -2.32 -0.02 0.00 0.36 0.00 0.00 54.97 53.20 1xeb s GLU 139 Cb -0.12 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1xeb s GLU 139 CO 0.11 -1.30 0.40 -0.25 -0.54 0.00 0.00 175.26 173.68 1xeb n ASP 140 N 2.89 -2.79 -1.11 -1.70 9.92 -1.26 -3.63 116.55 118.87 1xeb n ASP 140 Ca 0.21 -0.22 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1xeb n ASP 140 Cb 0.41 -2.20 -0.06 0.00 -0.64 0.00 0.00 41.12 38.63 1xeb n ASP 140 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xeb n ASP 141 N -1.02 -4.65 -4.03 -2.24 8.00 -1.26 -5.00 116.55 106.35 1xeb n ASP 141 Ca -0.05 0.32 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 1xeb n ASP 141 Cb 0.54 -3.42 -0.16 0.00 -0.02 0.00 0.00 41.12 38.07 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 -2.53 1.78 -0.05 0.53 1.10 -1.24 -5.09 121.20 115.70 1xeb s ILE 142 Ca 0.00 -1.02 -0.31 0.00 -0.51 0.00 0.00 60.65 58.81 1xeb s ILE 142 Cb 0.00 -1.78 -0.09 0.00 0.15 0.00 0.00 42.46 40.74 1xeb s ILE 142 CO 0.00 0.26 2.01 -0.81 -2.11 0.00 0.00 174.94 174.29 1xeb n PRO 143 N 4.65 2.50 -4.17 3.50 -0.04 -1.26 -2.19 135.00 137.99 1xeb n PRO 143 Ca -0.16 0.88 -0.25 0.00 -0.04 0.00 0.00 63.50 63.93 1xeb n PRO 143 Cb 0.47 -2.96 -0.08 0.00 -0.04 0.00 0.00 33.50 30.89 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 5.24 2.60 -0.10 0.54 3.76 0.12 -0.33 115.29 127.11 1xeb s HIS 144 Ca 0.93 -0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 55.17 1xeb s HIS 144 Cb -0.48 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.32 1xeb s HIS 144 CO 0.43 0.22 0.28 -1.50 -0.85 0.00 0.00 174.74 173.32 1xeb s ILE 145 N -2.59 0.00 0.85 0.60 2.07 0.10 -1.02 121.20 121.22 1xeb s ILE 145 Ca 0.40 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.53 1xeb s ILE 145 Cb 0.04 -0.40 0.15 0.00 0.13 0.00 0.00 42.46 42.38 1xeb s ILE 145 CO 0.22 -0.00 1.19 -0.83 -1.91 0.00 0.00 174.94 173.60 1xeb s GLY 146 N 0.13 1.74 -0.24 1.50 0.00 -1.26 -1.24 107.32 107.95 1xeb s GLY 146 Ca -0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 44.72 43.23 1xeb s GLY 146 CO 0.00 -0.58 1.10 1.09 0.00 0.00 0.00 173.10 174.72 1xeb s ARG 148 N -5.59 0.44 -0.12 2.90 1.04 -0.54 -1.12 118.95 115.97 1xeb s ARG 148 Ca 0.69 0.30 0.02 0.00 -1.04 0.00 0.00 55.73 55.70 1xeb s ARG 148 Cb -0.06 0.21 -0.01 0.00 -2.04 0.00 0.00 34.95 33.05 1xeb s ARG 148 CO 0.49 -0.10 -0.19 0.50 -0.04 0.00 0.00 175.30 175.97 1xeb s ARG 149 N -0.43 3.20 0.00 3.89 3.52 0.79 -1.86 118.95 128.05 1xeb s ARG 149 Ca 0.02 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1xeb s ARG 149 Cb -0.03 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1xeb s ARG 149 CO -0.05 0.18 0.29 0.00 -0.81 0.00 0.00 175.30 174.91