#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 s ALA 2 N 0.00 2.45 0.00 7.54 0.00 -1.26 -4.94 121.76 125.55 1om2 s ALA 2 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1om2 s ALA 2 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1om2 s ALA 2 CO 0.00 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.53 1om2 n GLY 3 N -2.69 -2.17 2.06 0.00 0.00 -1.26 -5.10 105.19 96.05 1om2 n GLY 3 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1om2 n GLY 3 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1om2 n LEU 4 N -1.23 -4.12 0.00 0.99 0.00 -1.26 -5.17 117.00 106.20 1om2 n LEU 4 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 56.01 56.93 1om2 n LEU 4 Cb 0.00 3.84 0.00 0.00 0.00 0.00 0.00 43.42 47.26 1om2 n LEU 4 CO 0.00 0.32 0.00 -0.24 0.00 0.00 0.00 177.39 177.47 1om2 n SER 5 N -3.46 -1.43 -4.54 1.96 2.88 -1.26 -4.50 113.62 103.27 1om2 n SER 5 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1om2 n SER 5 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1om2 n SER 5 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1om2 s LYS 6 N 0.00 2.62 -0.95 -1.46 1.02 -1.26 -4.80 119.74 114.91 1om2 s LYS 6 Ca 0.00 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 1om2 s LYS 6 Cb 0.00 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1om2 s LYS 6 CO 0.00 0.64 0.63 1.28 -0.92 0.00 0.00 175.35 176.98 1om2 n LEU 7 N 2.17 -1.28 0.00 3.17 4.77 -1.26 -4.98 117.00 119.59 1om2 n LEU 7 Ca -0.17 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 1om2 n LEU 7 Cb 0.53 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1om2 n LEU 7 CO 0.27 0.54 0.00 -0.81 -1.33 0.00 0.00 177.39 176.06 1om2 n PRO 8 N -3.41 0.00 0.18 3.23 -0.04 -1.26 -4.68 135.00 129.02 1om2 n PRO 8 Ca -0.26 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.28 1om2 n PRO 8 Cb 0.66 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.21 1om2 n PRO 8 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1om2 h ASP 9 N 0.00 0.00 0.00 3.54 3.58 -1.93 -3.48 116.42 118.13 1om2 h ASP 9 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1om2 h ASP 9 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1om2 h ASP 9 CO 0.00 0.23 0.00 -0.11 -2.88 0.00 0.00 179.24 176.48 1om2 n LEU 10 N -3.13 0.00 0.11 2.28 0.00 -1.26 -4.79 117.00 110.20 1om2 n LEU 10 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.99 1om2 n LEU 10 Cb 0.63 -0.10 0.09 0.00 0.00 0.00 0.00 43.42 44.03 1om2 n LEU 10 CO 0.37 0.00 0.40 0.11 0.00 0.00 0.00 177.39 178.27 1om2 h LYS 11 N 0.89 0.09 -6.80 1.96 6.56 -2.00 -3.46 116.57 113.81 1om2 h LYS 11 Ca 0.00 -0.08 -0.49 0.00 -1.06 0.00 0.00 60.65 59.03 1om2 h LYS 11 Cb 0.00 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1om2 h LYS 11 CO 0.00 0.77 0.36 -0.51 -2.06 0.00 0.00 179.45 178.01 1om2 s ASP 12 N -6.86 7.50 0.04 0.86 1.11 -1.26 -4.98 116.67 113.07 1om2 s ASP 12 Ca -0.02 1.96 -0.19 0.00 0.18 0.00 0.00 52.55 54.47 1om2 s ASP 12 Cb 0.12 -2.60 -0.16 0.00 1.07 0.00 0.00 42.92 41.35 1om2 s ASP 12 CO 0.79 0.05 1.29 0.00 1.18 0.00 0.00 175.17 178.48 1om2 h ALA 13 N 3.80 0.22 -0.83 5.23 0.00 -1.99 -2.71 119.26 122.99 1om2 h ALA 13 Ca -0.46 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1om2 h ALA 13 Cb 1.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1om2 h ALA 13 CO 0.67 0.21 0.50 0.93 0.00 0.00 0.00 179.25 181.56 1om2 h GLU 14 N 0.02 1.12 0.00 0.00 3.07 -1.98 0.32 114.58 117.13 1om2 h GLU 14 Ca 0.01 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 58.67 1om2 h GLU 14 Cb 0.85 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1om2 h GLU 14 CO 0.06 0.78 -0.46 0.00 -1.40 0.00 0.00 179.01 177.99 1om2 h ALA 15 N 1.41 0.97 0.17 3.43 0.00 -1.97 -0.35 119.26 122.92 1om2 h ALA 15 Ca 0.30 -0.42 -0.32 0.00 0.00 0.00 0.00 54.91 54.47 1om2 h ALA 15 Cb -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1om2 h ALA 15 CO -0.06 0.58 -1.51 0.28 0.00 0.00 0.00 179.25 178.54 1om2 h VAL 16 N 0.00 1.21 -0.13 0.00 2.07 -1.02 -3.02 116.25 115.36 1om2 h VAL 16 Ca -0.00 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 64.72 1om2 h VAL 16 Cb 0.98 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 1om2 h VAL 16 CO 0.06 0.84 -0.04 -0.61 0.02 0.00 0.00 177.57 177.84 1om2 h GLN 17 N 0.10 0.25 -0.51 1.57 4.15 -0.25 0.96 115.11 121.39 1om2 h GLN 17 Ca -0.25 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.09 1om2 h GLN 17 Cb 2.07 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.72 1om2 h GLN 17 CO 0.20 0.56 0.32 1.57 -1.93 0.00 0.00 178.83 179.56 1om2 h LYS 18 N -0.07 0.63 -0.17 1.69 5.09 -1.18 -0.85 116.57 121.71 1om2 h LYS 18 Ca 0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.69 1om2 h LYS 18 Cb 0.47 -0.14 -0.00 0.00 0.10 0.00 0.00 32.23 32.66 1om2 h LYS 18 CO 0.01 0.42 -0.05 0.35 -2.09 0.00 0.00 179.45 178.09 1om2 h PHE 19 N 0.65 0.37 -0.36 0.07 3.04 -1.51 0.31 116.94 119.51 1om2 h PHE 19 Ca 0.19 -0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.13 1om2 h PHE 19 Cb -0.03 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.32 1om2 h PHE 19 CO -0.05 0.61 -0.11 0.35 -2.02 0.00 0.00 178.31 177.10 1om2 h PHE 20 N 0.03 -0.24 -0.50 0.41 3.57 -0.57 0.27 116.94 119.91 1om2 h PHE 20 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1om2 h PHE 20 Cb 0.50 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1om2 h PHE 20 CO 0.06 -0.18 0.20 -0.07 -2.23 0.00 0.00 178.31 176.09 1om2 h LEU 21 N -0.03 0.69 -1.47 0.59 3.38 -1.14 -0.13 115.31 117.20 1om2 h LEU 21 Ca 0.17 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1om2 h LEU 21 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1om2 h LEU 21 CO -0.38 0.67 0.48 -0.08 0.09 0.00 0.00 178.44 179.22 1om2 h GLU 22 N 0.66 0.56 0.15 1.13 4.81 0.42 0.48 114.58 122.79 1om2 h GLU 22 Ca 0.17 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 1om2 h GLU 22 Cb 0.20 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.47 1om2 h GLU 22 CO -0.01 0.37 -0.88 1.49 -0.73 0.00 0.00 179.01 179.24 1om2 h GLU 23 N 0.58 0.33 -0.39 1.92 4.81 -0.63 -0.32 114.58 120.88 1om2 h GLU 23 Ca 0.34 -0.56 0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1om2 h GLU 23 Cb 0.54 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1om2 h GLU 23 CO -0.12 1.27 -0.07 0.82 -0.73 0.00 0.00 179.01 180.17 1om2 h ILE 24 N -0.31 0.63 0.03 2.32 2.04 -0.49 0.98 117.51 122.71 1om2 h ILE 24 Ca -0.15 -0.01 -0.27 0.00 1.00 0.00 0.00 64.86 65.43 1om2 h ILE 24 Cb 1.70 0.61 0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1om2 h ILE 24 CO 0.17 0.00 -1.09 0.06 0.00 0.00 0.00 178.15 177.29 1om2 h GLN 25 N 0.02 0.67 -0.53 2.37 3.07 -1.00 -2.17 115.11 117.55 1om2 h GLN 25 Ca 0.19 -0.76 -0.00 0.00 0.09 0.00 0.00 58.65 58.17 1om2 h GLN 25 Cb 0.28 0.22 -0.03 0.00 0.08 0.00 0.00 27.48 28.04 1om2 h GLN 25 CO -0.38 1.33 0.33 1.25 0.09 0.00 0.00 178.83 181.45 1om2 h LEU 26 N 0.36 0.63 0.74 0.06 7.12 -0.83 0.18 115.31 123.57 1om2 h LEU 26 Ca -0.14 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.79 1om2 h LEU 26 Cb 1.74 -0.16 0.01 0.00 -0.53 0.00 0.00 40.66 41.72 1om2 h LEU 26 CO 0.21 0.49 -0.35 1.23 -0.13 0.00 0.00 178.44 179.88 1om2 h GLY 27 N 0.71 -1.03 -0.39 3.75 0.00 -0.85 0.41 103.07 105.66 1om2 h GLY 27 Ca 0.19 0.38 0.25 0.00 0.00 0.00 0.00 47.33 48.15 1om2 h GLY 27 CO -0.04 -0.38 0.34 -2.09 0.00 0.00 0.00 176.54 174.38 1om2 h GLU 28 N -1.03 0.27 -0.37 4.80 4.22 -1.24 0.12 114.58 121.36 1om2 h GLU 28 Ca -0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.30 1om2 h GLU 28 Cb 0.76 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1om2 h GLU 28 CO 0.17 0.18 0.14 1.49 -2.18 0.00 0.00 179.01 178.81 1om2 h GLU 29 N 0.28 0.55 -0.94 1.92 4.57 -0.79 0.15 114.58 120.34 1om2 h GLU 29 Ca 0.59 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.65 1om2 h GLU 29 Cb 1.19 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1om2 h GLU 29 CO -0.61 0.54 0.55 -0.07 -1.18 0.00 0.00 179.01 178.24 1om2 h LEU 30 N 0.44 1.14 -1.15 1.64 3.38 0.14 -0.80 115.31 120.11 1om2 h LEU 30 Ca 0.12 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1om2 h LEU 30 Cb 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1om2 h LEU 30 CO -0.01 0.88 -0.23 -0.07 0.09 0.00 0.00 178.44 179.10 1om2 h LEU 31 N 1.30 0.30 -2.71 1.67 4.07 -0.62 0.81 115.31 120.12 1om2 h LEU 31 Ca 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1om2 h LEU 31 Cb -0.03 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1om2 h LEU 31 CO -0.06 0.55 0.07 0.00 -1.08 0.00 0.00 178.44 177.91 1om2 h ALA 32 N 1.48 1.19 0.06 1.53 0.00 0.79 -0.08 119.26 124.23 1om2 h ALA 32 Ca 0.05 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1om2 h ALA 32 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1om2 h ALA 32 CO 0.04 -0.08 -2.02 0.94 0.00 0.00 0.00 179.25 178.13 1om2 n GLN 33 N -3.22 0.70 0.00 0.00 7.27 0.07 -5.01 117.38 117.20 1om2 n GLN 33 Ca -0.02 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1om2 n GLN 33 Cb 0.14 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.10 1om2 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1om2 n GLY 34 N 1.88 1.20 2.54 1.69 0.00 -0.02 -5.07 105.19 107.42 1om2 n GLY 34 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1om2 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1om2 n ASP 35 N 0.00 7.25 -0.31 1.61 -0.08 -0.54 -4.77 116.55 119.71 1om2 n ASP 35 Ca 0.00 -3.30 0.18 0.00 -1.51 0.00 0.00 54.79 50.16 1om2 n ASP 35 Cb 0.00 -1.26 0.36 0.00 2.34 0.00 0.00 41.12 42.57 1om2 n ASP 35 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1om2 h TYR 36 N 3.71 0.51 -0.55 -0.67 -0.00 -1.88 0.77 116.97 118.86 1om2 h TYR 36 Ca 0.54 0.05 -0.05 0.00 0.00 0.00 0.00 58.73 59.27 1om2 h TYR 36 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 36.73 37.09 1om2 h TYR 36 CO 1.48 -0.24 0.15 0.93 -0.00 0.00 0.00 178.16 180.47 1om2 h GLU 37 N 0.20 0.84 -0.10 0.10 5.08 -1.99 -0.72 114.58 118.00 1om2 h GLU 37 Ca 0.63 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.71 1om2 h GLU 37 Cb 1.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1om2 h GLU 37 CO -0.68 0.75 -0.46 0.87 -1.00 0.00 0.00 179.01 178.49 1om2 h LYS 38 N 0.81 0.23 -0.88 2.33 1.79 -1.29 -2.54 116.57 117.03 1om2 h LYS 38 Ca 0.18 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1om2 h LYS 38 Cb 0.28 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 1om2 h LYS 38 CO -0.00 0.65 0.50 0.78 -1.08 0.00 0.00 179.45 180.30 1om2 h GLY 39 N 1.29 1.29 0.90 3.86 0.00 -0.22 0.77 103.07 110.96 1om2 h GLY 39 Ca 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1om2 h GLY 39 CO 0.07 0.54 0.08 -2.08 0.00 0.00 0.00 176.54 175.15 1om2 h VAL 40 N 1.22 1.14 0.44 4.60 2.07 -0.83 0.21 116.25 125.10 1om2 h VAL 40 Ca 0.31 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1om2 h VAL 40 Cb -0.01 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1om2 h VAL 40 CO -0.05 0.13 -0.21 -0.78 0.02 0.00 0.00 177.57 176.68 1om2 h ASP 41 N 0.13 -0.50 -0.54 0.57 3.58 -1.23 0.54 116.42 118.98 1om2 h ASP 41 Ca 0.06 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1om2 h ASP 41 Cb 0.14 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1om2 h ASP 41 CO -0.01 -0.30 0.16 0.45 -2.88 0.00 0.00 179.24 176.67 1om2 h HIS 42 N -0.66 0.92 -0.24 0.28 3.86 -0.85 -0.52 115.15 117.93 1om2 h HIS 42 Ca -0.06 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 58.98 1om2 h HIS 42 Cb 0.49 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1om2 h HIS 42 CO -0.03 0.75 -0.19 1.25 0.86 0.00 0.00 177.93 180.58 1om2 h LEU 43 N 0.86 0.58 -1.14 2.43 5.85 -0.50 -1.69 115.31 121.70 1om2 h LEU 43 Ca 0.19 -0.45 0.19 0.00 0.84 0.00 0.00 57.88 58.65 1om2 h LEU 43 Cb 0.28 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1om2 h LEU 43 CO -0.00 0.91 0.61 0.74 -0.34 0.00 0.00 178.44 180.36 1om2 h THR 44 N 0.26 0.72 -0.42 1.05 2.02 -0.20 0.13 112.91 116.47 1om2 h THR 44 Ca 0.05 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1om2 h THR 44 Cb 0.72 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1om2 h THR 44 CO 0.05 0.13 -0.02 0.78 0.37 0.00 0.00 175.52 176.83 1om2 h ASN 45 N 0.70 0.75 -0.56 4.18 2.35 -0.79 -0.71 115.58 121.50 1om2 h ASN 45 Ca 0.54 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 1om2 h ASN 45 Cb 0.92 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 39.03 1om2 h ASN 45 CO -0.32 0.89 0.24 0.00 -1.65 0.00 0.00 177.43 176.59 1om2 h ALA 46 N 0.89 0.72 -0.29 -0.83 0.00 0.14 0.11 119.26 120.00 1om2 h ALA 46 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1om2 h ALA 46 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1om2 h ALA 46 CO 0.03 -0.15 0.02 0.82 0.00 0.00 0.00 179.25 179.96 1om2 h ILE 47 N 0.44 1.17 0.00 0.00 5.03 -0.87 -0.40 117.51 122.89 1om2 h ILE 47 Ca 0.27 -0.64 -0.04 0.00 -0.12 0.00 0.00 64.86 64.34 1om2 h ILE 47 Cb 0.27 0.93 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 1om2 h ILE 47 CO -0.24 0.22 -0.17 0.00 -0.68 0.00 0.00 178.15 177.28 1om2 h ALA 48 N 1.61 1.69 0.00 1.87 0.00 0.73 0.95 119.26 126.10 1om2 h ALA 48 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1om2 h ALA 48 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1om2 h ALA 48 CO 0.00 0.21 -1.59 1.33 0.00 0.00 0.00 179.25 179.20 1om2 n VAL 49 N -4.29 0.03 -0.06 0.00 0.24 -0.77 -4.50 118.33 108.98 1om2 n VAL 49 Ca -0.02 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 1om2 n VAL 49 Cb 0.23 0.31 -0.13 0.00 -1.47 0.00 0.00 33.84 32.79 1om2 n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1om2 n GLY 51 N 1.61 0.52 2.50 0.00 0.00 0.29 -4.96 105.19 105.14 1om2 n GLY 51 Ca -0.29 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 1om2 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1om2 n GLN 52 N -2.29 0.75 0.02 1.61 -0.06 -1.26 -5.04 117.38 111.11 1om2 n GLN 52 Ca -0.05 -2.40 -0.11 0.00 -2.00 0.00 0.00 57.00 52.44 1om2 n GLN 52 Cb 0.32 -1.35 -0.05 0.00 -4.06 0.00 0.00 30.24 25.10 1om2 n GLN 52 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1om2 h PRO 53 N 3.98 -0.41 -0.67 3.69 0.13 -1.93 -2.75 132.00 134.04 1om2 h PRO 53 Ca -0.05 0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1om2 h PRO 53 Cb 0.97 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.12 1om2 h PRO 53 CO 0.39 -0.28 0.33 1.96 -0.23 0.00 0.00 178.00 180.17 1om2 h GLN 54 N -0.43 0.56 -0.52 0.86 4.20 -1.98 0.20 115.11 118.00 1om2 h GLN 54 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1om2 h GLN 54 Cb 0.56 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1om2 h GLN 54 CO -0.33 0.37 0.34 0.37 -0.67 0.00 0.00 178.83 178.91 1om2 h GLN 55 N 0.58 0.69 -0.70 1.46 5.75 -1.96 -1.20 115.11 119.73 1om2 h GLN 55 Ca 0.32 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1om2 h GLN 55 Cb 0.31 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1om2 h GLN 55 CO -0.25 0.46 0.15 1.25 -2.65 0.00 0.00 178.83 177.80 1om2 h LEU 56 N 0.70 1.08 -0.91 -2.39 5.85 -1.00 -1.71 115.31 116.92 1om2 h LEU 56 Ca 0.19 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1om2 h LEU 56 Cb -0.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1om2 h LEU 56 CO -0.04 1.04 0.32 -0.07 -0.34 0.00 0.00 178.44 179.35 1om2 h LEU 57 N 1.07 1.01 -0.54 2.25 3.38 0.07 0.15 115.31 122.71 1om2 h LEU 57 Ca 0.22 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1om2 h LEU 57 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1om2 h LEU 57 CO 0.01 0.89 -0.13 0.06 0.09 0.00 0.00 178.44 179.35 1om2 h GLN 58 N 1.08 1.04 -0.34 1.13 3.07 -1.06 -0.47 115.11 119.56 1om2 h GLN 58 Ca 0.25 -0.40 -0.02 0.00 0.09 0.00 0.00 58.65 58.57 1om2 h GLN 58 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 1om2 h GLN 58 CO -0.02 1.09 0.12 -0.24 0.09 0.00 0.00 178.83 179.87 1om2 h VAL 59 N 0.91 1.14 0.12 1.86 3.04 -0.61 -0.06 116.25 122.66 1om2 h VAL 59 Ca 0.14 -0.47 -0.27 0.00 -1.01 0.00 0.00 66.70 65.08 1om2 h VAL 59 Cb 0.71 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1om2 h VAL 59 CO 0.05 0.18 -1.22 -0.07 -1.01 0.00 0.00 177.57 175.50 1om2 h LEU 60 N 0.49 0.52 -0.26 3.16 -0.00 -0.47 -3.16 115.31 115.58 1om2 h LEU 60 Ca 0.12 -0.53 -0.20 0.00 -0.00 0.00 0.00 57.88 57.28 1om2 h LEU 60 Cb 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1om2 h LEU 60 CO -0.01 1.39 -0.62 -0.61 -0.00 0.00 0.00 178.44 178.59 1om2 h GLN 61 N 0.12 0.85 -0.59 1.13 -0.00 -0.55 -0.93 115.11 115.13 1om2 h GLN 61 Ca -0.14 -0.58 -0.06 0.00 -0.00 0.00 0.00 58.65 57.86 1om2 h GLN 61 Cb 1.92 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 29.46 1om2 h GLN 61 CO 0.21 1.21 0.12 -0.56 0.00 0.00 0.00 178.83 179.80 1om2 h GLN 62 N 0.63 0.94 0.14 1.69 3.07 -1.13 -2.93 115.11 117.52 1om2 h GLN 62 Ca -0.01 -0.22 -0.28 0.00 0.09 0.00 0.00 58.65 58.24 1om2 h GLN 62 Cb 1.23 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 28.67 1om2 h GLN 62 CO 0.13 0.86 -1.26 0.00 0.09 0.00 0.00 178.83 178.66 1om2 h THR 63 N 0.90 1.49 -0.72 1.86 1.03 -1.52 -3.46 112.91 112.47 1om2 h THR 63 Ca 0.19 -3.05 0.18 0.00 -0.01 0.00 0.00 66.41 63.72 1om2 h THR 63 Cb 0.36 2.95 -0.22 0.00 -1.07 0.00 0.00 68.15 70.18 1om2 h THR 63 CO 0.00 0.89 0.05 -0.22 -0.01 0.00 0.00 175.52 176.23 1om2 s LEU 64 N -7.18 -0.74 -0.30 0.00 2.96 -0.36 -5.11 118.68 107.95 1om2 s LEU 64 Ca -0.04 0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 54.20 1om2 s LEU 64 Cb 0.07 1.68 -0.05 0.00 0.50 0.00 0.00 46.19 48.39 1om2 s LEU 64 CO 0.89 -0.14 2.21 -2.16 -1.32 0.00 0.00 176.35 175.83 1om2 s PRO 65 N 2.80 2.91 -0.26 0.98 0.04 -1.18 -4.16 135.00 136.13 1om2 s PRO 65 Ca 0.04 1.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 1om2 s PRO 65 Cb -0.10 -4.40 -0.00 0.00 0.04 0.00 0.00 34.50 30.03 1om2 s PRO 65 CO -0.15 -2.35 0.83 -1.25 0.04 0.00 0.00 177.00 174.12 1om2 s PRO 66 N 6.71 4.12 0.32 0.56 0.05 -1.26 -4.92 135.00 140.58 1om2 s PRO 66 Ca 0.97 0.86 0.06 0.00 0.05 0.00 0.00 61.00 62.94 1om2 s PRO 66 Cb -0.28 -3.67 0.55 0.00 0.05 0.00 0.00 34.50 31.15 1om2 s PRO 66 CO 0.33 -0.59 1.78 -1.00 0.05 0.00 0.00 177.00 177.57 1om2 h PRO 67 N 7.82 0.32 -0.57 0.56 0.13 -2.01 -2.54 132.00 135.72 1om2 h PRO 67 Ca -0.23 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.87 1om2 h PRO 67 Cb 1.09 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 1om2 h PRO 67 CO 0.89 0.56 0.21 0.28 -0.23 0.00 0.00 178.00 179.71 1om2 h VAL 68 N 0.29 0.80 -0.91 1.56 2.07 -1.98 -1.20 116.25 116.88 1om2 h VAL 68 Ca 0.04 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.61 1om2 h VAL 68 Cb 0.61 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 1om2 h VAL 68 CO 0.04 0.07 0.48 0.15 0.02 0.00 0.00 177.57 178.34 1om2 h PHE 69 N 0.40 0.83 0.00 1.57 3.57 -1.86 0.24 116.94 121.69 1om2 h PHE 69 Ca 0.28 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1om2 h PHE 69 Cb 0.32 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1om2 h PHE 69 CO -0.16 0.13 -0.02 0.37 -2.23 0.00 0.00 178.31 176.40 1om2 h GLN 70 N 0.60 0.00 0.08 1.11 4.15 -1.25 -0.97 115.11 118.83 1om2 h GLN 70 Ca 0.53 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.60 1om2 h GLN 70 Cb 0.86 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1om2 h GLN 70 CO -0.42 0.02 -1.96 -1.33 -1.93 0.00 0.00 178.83 173.22 1om2 n MET 71 N -3.39 0.71 0.12 1.69 2.81 0.60 -3.89 117.12 115.78 1om2 n MET 71 Ca -0.02 0.26 -0.13 0.00 -1.81 0.00 0.00 57.70 56.00 1om2 n MET 71 Cb 0.12 -1.72 -0.06 0.00 -0.71 0.00 0.00 33.22 30.86 1om2 n MET 71 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1om2 h LEU 72 N 0.05 -0.61 0.00 4.03 5.85 0.41 0.25 115.31 125.29 1om2 h LEU 72 Ca -0.40 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1om2 h LEU 72 Cb 2.03 0.23 0.00 0.00 0.37 0.00 0.00 40.66 43.28 1om2 h LEU 72 CO 0.07 -0.31 0.00 0.00 -0.34 0.00 0.00 178.44 177.87 1om2 n LEU 73 N -5.34 0.00 -0.07 2.25 -0.00 -0.65 -2.15 117.00 111.04 1om2 n LEU 73 Ca -0.07 0.20 -0.04 0.00 -0.00 0.00 0.00 56.01 56.09 1om2 n LEU 73 Cb 0.26 -0.20 -0.16 0.00 -0.00 0.00 0.00 43.42 43.32 1om2 n LEU 73 CO 0.27 -0.06 -0.97 1.07 -0.00 0.00 0.00 177.39 177.70 1om2 n THR 74 N -1.20 1.06 -0.09 1.47 5.66 -0.71 -4.29 114.28 116.19 1om2 n THR 74 Ca 0.12 -0.76 -0.09 0.00 -3.05 0.00 0.00 64.05 60.27 1om2 n THR 74 Cb 0.14 -0.40 -0.02 0.00 -1.55 0.00 0.00 70.33 68.51 1om2 n THR 74 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1om2 h LYS 75 N 0.00 0.40 0.00 1.09 1.63 -0.00 -3.32 116.57 116.37 1om2 h LYS 75 Ca -0.38 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1om2 h LYS 75 Cb 1.90 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 1om2 h LYS 75 CO 0.03 0.29 0.00 1.47 -3.45 0.00 0.00 179.45 177.79 1om2 n LEU 76 N -4.86 0.00 -4.83 5.20 -0.00 -1.20 -4.75 117.00 106.56 1om2 n LEU 76 Ca -0.01 1.00 -0.32 0.00 -0.00 0.00 0.00 56.01 56.67 1om2 n LEU 76 Cb 0.04 -0.50 -0.02 0.00 -0.00 0.00 0.00 43.42 42.94 1om2 n LEU 76 CO 0.34 -0.50 0.69 -2.16 -0.00 0.00 0.00 177.39 175.77 1om2 s PRO 77 N -2.99 3.78 -0.06 1.47 0.04 -1.25 -5.00 135.00 130.99 1om2 s PRO 77 Ca 0.00 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.08 1om2 s PRO 77 Cb 0.00 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1om2 s PRO 77 CO 0.00 -0.42 -0.01 2.41 0.04 0.00 0.00 177.00 179.03 1om2 n THR 78 N -1.75 0.37 -0.12 1.26 -1.04 -1.26 -4.73 114.28 107.01 1om2 n THR 78 Ca 0.07 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 1om2 n THR 78 Cb 0.54 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 68.14 1om2 n THR 78 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1om2 h ILE 79 N 0.00 0.00 -0.35 12.58 -0.00 -1.97 0.80 117.51 128.57 1om2 h ILE 79 Ca -0.15 0.00 0.07 0.00 -0.00 0.00 0.00 64.86 64.78 1om2 h ILE 79 Cb 1.30 0.00 -0.06 0.00 -0.00 0.00 0.00 36.82 38.06 1om2 h ILE 79 CO -0.00 0.00 -0.05 -1.28 -0.00 0.00 0.00 178.15 176.82 1om2 h SER 80 N -0.34 -0.24 -0.93 2.19 0.87 -1.99 -0.65 113.55 112.47 1om2 h SER 80 Ca 0.06 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1om2 h SER 80 Cb 0.50 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 1om2 h SER 80 CO -0.51 -0.08 0.60 -0.61 -0.53 0.00 0.00 176.83 175.70 1om2 h GLN 81 N 0.04 0.99 -0.60 2.24 4.15 -1.69 -2.09 115.11 118.14 1om2 h GLN 81 Ca 0.17 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1om2 h GLN 81 Cb 0.25 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1om2 h GLN 81 CO -0.33 0.65 0.10 -0.09 -1.93 0.00 0.00 178.83 177.24 1om2 h ARG 82 N 1.02 1.00 0.23 1.69 2.43 0.64 0.32 114.38 121.70 1om2 h ARG 82 Ca 0.41 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1om2 h ARG 82 Cb 0.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1om2 h ARG 82 CO -0.17 0.94 -0.11 0.82 -1.51 0.00 0.00 179.97 179.94 1om2 h ILE 83 N 0.91 0.80 -0.43 1.20 1.08 -0.68 -2.97 117.51 117.43 1om2 h ILE 83 Ca 0.18 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1om2 h ILE 83 Cb 0.42 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1om2 h ILE 83 CO 0.01 0.03 0.24 0.58 -0.69 0.00 0.00 178.15 178.32 1om2 h VAL 84 N -0.37 1.03 0.00 1.67 2.07 -1.39 0.94 116.25 120.20 1om2 h VAL 84 Ca -0.03 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1om2 h VAL 84 Cb 0.28 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1om2 h VAL 84 CO 0.05 0.09 -0.06 -1.20 0.02 0.00 0.00 177.57 176.47 1om2 n SER 85 N -4.86 4.79 0.17 0.57 7.64 0.09 -3.76 113.62 118.26 1om2 n SER 85 Ca 0.02 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1om2 n SER 85 Cb 0.07 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1om2 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1om2 n ALA 86 N 1.76 0.00 -1.14 -0.43 0.00 -0.99 -4.85 120.51 114.86 1om2 n ALA 86 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 1om2 n ALA 86 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1om2 n ALA 86 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1om2 n GLN 87 N -3.23 2.92 0.00 0.00 -0.06 0.29 -1.24 117.38 116.06 1om2 n GLN 87 Ca 0.00 -1.67 0.00 0.00 -2.00 0.00 0.00 57.00 53.33 1om2 n GLN 87 Cb 0.00 -2.46 0.00 0.00 -4.06 0.00 0.00 30.24 23.72 1om2 n GLN 87 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1om2 n SER 88 N 3.19 0.00 -2.47 1.69 7.64 -1.26 -4.87 113.62 117.54 1om2 n SER 88 Ca 0.62 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.19 1om2 n SER 88 Cb 0.48 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1om2 n LEU 89 N 0.00 6.00 0.00 -3.43 4.77 -1.04 -4.98 117.00 118.33 1om2 n LEU 89 Ca 0.00 -4.87 -0.00 0.00 -0.03 0.00 0.00 56.01 51.11 1om2 n LEU 89 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1om2 n LEU 89 CO 0.00 1.96 0.07 0.61 -1.33 0.00 0.00 177.39 178.70 1om2 n GLY 90 N -0.62 0.95 3.76 -0.72 0.00 -0.37 -4.61 105.19 103.58 1om2 n GLY 90 Ca 0.48 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1om2 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1om2 s GLU 91 N -2.00 3.39 -0.12 1.61 2.02 -1.26 -4.89 118.70 117.44 1om2 s GLU 91 Ca 0.02 1.98 -0.22 0.00 0.02 0.00 0.00 54.97 56.78 1om2 s GLU 91 Cb -0.00 -2.28 0.05 0.00 0.10 0.00 0.00 34.13 32.00 1om2 s GLU 91 CO 0.00 -0.92 0.53 0.34 0.02 0.00 0.00 175.26 175.24 1om2 s ASP 92 N -1.21 -0.51 -0.25 -0.19 2.15 -1.26 -4.79 116.67 110.62 1om2 s ASP 92 Ca 0.69 0.76 -0.26 0.00 0.43 0.00 0.00 52.55 54.16 1om2 s ASP 92 Cb -0.34 0.76 0.12 0.00 -0.30 0.00 0.00 42.92 43.16 1om2 s ASP 92 CO 0.40 -0.38 1.01 -0.62 -0.17 0.00 0.00 175.17 175.42 1om2 s ASP 93 N -0.53 -0.44 -0.28 -0.34 -1.08 -1.26 -5.07 116.67 107.68 1om2 s ASP 93 Ca -0.06 0.76 0.21 0.00 -0.52 0.00 0.00 52.55 52.94 1om2 s ASP 93 Cb -0.03 0.74 0.49 0.00 -1.46 0.00 0.00 42.92 42.66 1om2 s ASP 93 CO 0.04 -0.21 1.11 0.52 0.52 0.00 0.00 175.17 177.16 1om2 n VAL 94 N 1.83 1.13 -0.85 1.11 0.31 -1.26 -5.29 118.33 115.31 1om2 n VAL 94 Ca -0.12 -2.81 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 1om2 n VAL 94 Cb 0.56 1.18 0.00 0.00 -0.91 0.00 0.00 33.84 34.68 1om2 n VAL 94 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72