#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om2 n ALA 2 N 0.00 2.75 -2.13 7.54 0.00 -1.26 -5.00 120.51 122.41 1om2 n ALA 2 Ca 0.00 -2.57 -0.42 0.00 0.00 0.00 0.00 53.44 50.45 1om2 n ALA 2 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1om2 n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1om2 n GLY 3 N -0.59 4.81 0.87 0.00 0.00 -1.26 -4.91 105.19 104.12 1om2 n GLY 3 Ca 0.04 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 3.58 -0.74 -3.07 0.99 0.00 -1.26 -5.05 117.00 111.46 1om2 n LEU 4 Ca 0.49 1.51 0.03 0.00 0.00 0.00 0.00 56.01 58.03 1om2 n LEU 4 Cb 0.33 -1.66 -0.00 0.00 0.00 0.00 0.00 43.42 42.09 1om2 n LEU 4 CO 0.80 -0.99 0.28 -0.94 0.00 0.00 0.00 177.39 176.54 1om2 s SER 5 N -5.40 -1.01 0.10 1.96 1.04 -1.26 -5.15 113.70 103.98 1om2 s SER 5 Ca 0.00 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 1om2 s SER 5 Cb 0.00 1.42 -0.06 0.00 0.10 0.00 0.00 66.02 67.48 1om2 s SER 5 CO 0.00 -0.14 1.21 -0.54 0.98 0.00 0.00 173.24 174.75 1om2 s LYS 6 N 2.31 4.44 -0.84 4.02 1.02 -1.26 -4.06 119.74 125.37 1om2 s LYS 6 Ca 0.17 1.82 -0.03 0.00 0.02 0.00 0.00 55.97 57.95 1om2 s LYS 6 Cb -0.03 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1om2 s LYS 6 CO -0.16 -0.23 0.64 1.28 -0.92 0.00 0.00 175.35 175.96 1om2 n LEU 7 N 3.58 -3.11 0.00 3.17 4.77 -1.26 -5.00 117.00 119.15 1om2 n LEU 7 Ca 0.08 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1om2 n LEU 7 Cb 0.46 -2.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.44 1om2 n LEU 7 CO 0.56 0.03 0.00 -0.81 -1.33 0.00 0.00 177.39 175.84 1om2 n PRO 8 N -2.63 0.00 0.11 3.23 -0.04 -1.26 -4.66 135.00 129.75 1om2 n PRO 8 Ca -0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.21 1om2 n PRO 8 Cb 0.63 -0.03 0.08 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.05 0.00 3.54 1.82 -1.95 -3.47 116.42 116.41 1om2 h ASP 9 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1om2 h ASP 9 Cb 0.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1om2 h ASP 9 CO 0.00 0.76 0.00 -0.11 -1.61 0.00 0.00 179.24 178.28 1om2 n LEU 10 N -3.70 0.00 0.06 2.28 0.00 -1.26 -4.75 117.00 109.63 1om2 n LEU 10 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1om2 n LEU 10 Cb 0.71 0.00 0.31 0.00 0.00 0.00 0.00 43.42 44.44 1om2 n LEU 10 CO 0.44 0.00 0.86 0.11 0.00 0.00 0.00 177.39 178.79 1om2 h LYS 11 N 0.34 0.37 -6.74 1.96 1.79 -2.00 -3.44 116.57 108.85 1om2 h LYS 11 Ca 0.00 -0.10 -0.49 0.00 -2.18 0.00 0.00 60.65 57.88 1om2 h LYS 11 Cb 0.00 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1om2 h LYS 11 CO 0.00 0.51 0.37 -0.51 -1.08 0.00 0.00 179.45 178.73 1om2 s ASP 12 N -6.82 7.59 0.04 0.86 1.01 -1.26 -4.97 116.67 113.12 1om2 s ASP 12 Ca -0.06 1.97 -0.18 0.00 0.71 0.00 0.00 52.55 54.99 1om2 s ASP 12 Cb 0.15 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 41.30 1om2 s ASP 12 CO 0.76 0.10 1.25 0.00 0.21 0.00 0.00 175.17 177.49 1om2 h ALA 13 N 4.25 0.22 -0.83 5.23 0.00 -1.99 -2.70 119.26 123.44 1om2 h ALA 13 Ca -0.45 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.01 1om2 h ALA 13 Cb 1.20 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1om2 h ALA 13 CO 0.68 0.34 0.54 0.93 0.00 0.00 0.00 179.25 181.75 1om2 h GLU 14 N 0.11 1.06 -0.24 0.00 3.07 -1.98 0.23 114.58 116.83 1om2 h GLU 14 Ca -0.02 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 1om2 h GLU 14 Cb 1.06 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1om2 h GLU 14 CO 0.09 0.70 -0.39 0.00 -1.40 0.00 0.00 179.01 178.01 1om2 h ALA 15 N 1.32 0.88 -0.30 3.43 0.00 -1.96 -0.05 119.26 122.57 1om2 h ALA 15 Ca 0.32 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1om2 h ALA 15 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1om2 h ALA 15 CO -0.09 0.64 -0.48 0.28 0.00 0.00 0.00 179.25 179.60 1om2 h VAL 16 N 0.46 1.28 -0.54 0.00 2.07 -1.05 -2.02 116.25 116.46 1om2 h VAL 16 Ca 0.04 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 1om2 h VAL 16 Cb 0.88 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1om2 h VAL 16 CO 0.08 0.54 0.10 -0.61 0.02 0.00 0.00 177.57 177.70 1om2 h GLN 17 N 0.65 0.88 0.54 1.57 4.15 -0.30 0.11 115.11 122.72 1om2 h GLN 17 Ca 0.03 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1om2 h GLN 17 Cb 1.07 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1om2 h GLN 17 CO 0.11 0.85 -0.38 0.87 -1.93 0.00 0.00 178.83 178.35 1om2 h LYS 18 N 0.77 -0.86 -0.52 1.69 1.79 -0.85 -0.76 116.57 117.83 1om2 h LYS 18 Ca 0.16 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1om2 h LYS 18 Cb 0.39 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1om2 h LYS 18 CO 0.01 -0.57 0.30 0.35 -1.08 0.00 0.00 179.45 178.45 1om2 h PHE 19 N -0.89 0.71 -0.21 -1.35 3.04 -1.32 0.73 116.94 117.65 1om2 h PHE 19 Ca -0.06 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.92 1om2 h PHE 19 Cb 0.74 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.97 1om2 h PHE 19 CO -0.13 0.52 -0.11 0.35 -2.02 0.00 0.00 178.31 176.92 1om2 h PHE 20 N 0.70 -0.26 -0.54 0.41 3.57 -0.65 -0.26 116.94 119.92 1om2 h PHE 20 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1om2 h PHE 20 Cb 0.03 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1om2 h PHE 20 CO -0.02 -0.16 0.13 -0.07 -2.23 0.00 0.00 178.31 175.96 1om2 h LEU 21 N -0.09 0.78 -1.21 0.59 3.38 -0.97 -1.38 115.31 116.41 1om2 h LEU 21 Ca 0.11 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1om2 h LEU 21 Cb 0.26 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1om2 h LEU 21 CO -0.26 0.76 0.58 -0.08 0.09 0.00 0.00 178.44 179.53 1om2 h GLU 22 N 0.80 0.81 0.05 1.13 4.81 0.84 0.17 114.58 123.20 1om2 h GLU 22 Ca 0.18 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 1om2 h GLU 22 Cb 0.30 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.51 1om2 h GLU 22 CO -0.00 0.54 -0.70 0.93 -0.73 0.00 0.00 179.01 179.05 1om2 h GLU 23 N 0.84 0.38 -0.51 1.92 4.39 -0.63 0.57 114.58 121.55 1om2 h GLU 23 Ca 0.42 -0.48 0.09 0.00 0.34 0.00 0.00 59.36 59.74 1om2 h GLU 23 Cb 0.49 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 1om2 h GLU 23 CO -0.19 1.16 0.08 0.82 -1.16 0.00 0.00 179.01 179.72 1om2 h ILE 24 N -0.18 0.69 0.67 3.13 2.04 -0.79 0.03 117.51 123.10 1om2 h ILE 24 Ca -0.10 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1om2 h ILE 24 Cb 1.45 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1om2 h ILE 24 CO 0.13 0.04 -0.32 1.56 0.00 0.00 0.00 178.15 179.56 1om2 h GLN 25 N 0.21 -0.87 -0.37 2.37 1.08 -0.69 -2.13 115.11 114.71 1om2 h GLN 25 Ca 0.26 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.59 1om2 h GLN 25 Cb 0.36 0.20 -0.09 0.00 -0.05 0.00 0.00 27.48 27.90 1om2 h GLN 25 CO -0.35 -0.58 -0.29 1.25 -0.95 0.00 0.00 178.83 177.91 1om2 h LEU 26 N -1.04 -0.96 0.34 1.46 7.12 -0.77 0.92 115.31 122.38 1om2 h LEU 26 Ca -0.09 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1om2 h LEU 26 Cb 0.69 0.46 -0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1om2 h LEU 26 CO 0.15 -0.30 -0.22 1.23 -0.13 0.00 0.00 178.44 179.17 1om2 h GLY 27 N -0.24 -0.79 -0.28 3.75 0.00 -1.07 0.27 103.07 104.72 1om2 h GLY 27 Ca 0.17 0.33 0.32 0.00 0.00 0.00 0.00 47.33 48.15 1om2 h GLY 27 CO -0.50 -0.27 0.78 0.83 0.00 0.00 0.00 176.54 177.38 1om2 h GLU 28 N -0.53 0.13 -0.08 4.80 4.39 -1.11 0.98 114.58 123.15 1om2 h GLU 28 Ca -0.05 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1om2 h GLU 28 Cb 0.43 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1om2 h GLU 28 CO 0.04 0.09 -0.59 1.49 -1.16 0.00 0.00 179.01 178.88 1om2 h GLU 29 N 0.13 0.54 -0.47 2.33 4.81 -0.50 -1.04 114.58 120.38 1om2 h GLU 29 Ca 0.57 -0.47 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1om2 h GLU 29 Cb 1.99 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.45 1om2 h GLU 29 CO -0.12 1.10 0.05 -0.07 -0.73 0.00 0.00 179.01 179.25 1om2 h LEU 30 N 0.14 0.70 -1.26 1.64 3.38 0.13 -0.90 115.31 119.13 1om2 h LEU 30 Ca -0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1om2 h LEU 30 Cb 1.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1om2 h LEU 30 CO 0.12 0.74 -0.16 -0.07 0.09 0.00 0.00 178.44 179.16 1om2 h LEU 31 N 0.71 0.29 -2.68 1.67 4.07 -0.94 0.20 115.31 118.63 1om2 h LEU 31 Ca 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1om2 h LEU 31 Cb 0.36 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1om2 h LEU 31 CO 0.01 0.48 0.02 0.00 -1.08 0.00 0.00 178.44 177.86 1om2 h ALA 32 N 1.56 1.31 0.07 1.53 0.00 0.22 0.15 119.26 124.10 1om2 h ALA 32 Ca 0.05 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 1om2 h ALA 32 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1om2 h ALA 32 CO 0.03 -0.02 -1.84 0.37 0.00 0.00 0.00 179.25 177.79 1om2 h GLN 33 N 0.00 0.15 0.00 0.00 4.15 -0.46 -3.49 115.11 115.46 1om2 h GLN 33 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1om2 h GLN 33 Cb 0.04 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1om2 h GLN 33 CO -0.00 0.89 0.00 0.41 -1.93 0.00 0.00 178.83 178.20 1om2 n GLY 34 N 1.78 0.84 2.31 2.39 0.00 0.41 -5.07 105.19 107.85 1om2 n GLY 34 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 6.70 -0.33 1.61 -0.08 -0.25 -4.73 116.55 119.47 1om2 n ASP 35 Ca 0.00 -2.87 0.25 0.00 -1.51 0.00 0.00 54.79 50.66 1om2 n ASP 35 Cb 0.00 -1.36 0.48 0.00 2.34 0.00 0.00 41.12 42.58 1om2 n ASP 35 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1om2 h TYR 36 N 3.57 0.62 -0.52 -0.67 0.05 -1.87 0.20 116.97 118.35 1om2 h TYR 36 Ca 0.45 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 59.24 1om2 h TYR 36 Cb 0.84 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 1om2 h TYR 36 CO 1.65 -0.40 0.15 0.93 -1.05 0.00 0.00 178.16 179.44 1om2 h GLU 37 N 0.07 0.78 -0.19 4.88 5.08 -2.00 -1.33 114.58 121.87 1om2 h GLU 37 Ca 0.75 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.77 1om2 h GLU 37 Cb 1.84 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1om2 h GLU 37 CO -0.77 0.69 -0.68 0.87 -1.00 0.00 0.00 179.01 178.11 1om2 h LYS 38 N 0.76 0.75 -0.92 2.33 1.79 -1.02 -3.08 116.57 117.17 1om2 h LYS 38 Ca 0.17 -0.56 0.13 0.00 -2.18 0.00 0.00 60.65 58.21 1om2 h LYS 38 Cb 0.25 0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.92 1om2 h LYS 38 CO -0.01 1.18 0.59 0.78 -1.08 0.00 0.00 179.45 180.91 1om2 h GLY 39 N 0.74 1.35 0.98 3.86 0.00 -0.53 0.10 103.07 109.57 1om2 h GLY 39 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1om2 h GLY 39 CO 0.14 0.13 0.14 -2.08 0.00 0.00 0.00 176.54 174.88 1om2 h VAL 40 N 0.82 1.08 -0.03 4.60 2.07 -1.19 0.13 116.25 123.73 1om2 h VAL 40 Ca 0.45 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1om2 h VAL 40 Cb 0.58 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1om2 h VAL 40 CO -0.22 0.08 0.00 -0.78 0.02 0.00 0.00 177.57 176.67 1om2 h ASP 41 N 0.29 0.04 -0.80 0.57 3.58 -1.24 0.56 116.42 119.43 1om2 h ASP 41 Ca 0.08 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.27 1om2 h ASP 41 Cb -0.00 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1om2 h ASP 41 CO -0.02 0.31 0.53 0.45 -2.88 0.00 0.00 179.24 177.63 1om2 h HIS 42 N -0.22 0.99 -0.14 0.28 3.86 -0.77 0.17 115.15 119.31 1om2 h HIS 42 Ca 0.01 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1om2 h HIS 42 Cb 0.28 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1om2 h HIS 42 CO 0.02 0.61 -0.28 1.25 0.86 0.00 0.00 177.93 180.39 1om2 h LEU 43 N 1.05 0.49 -1.20 2.43 5.85 -0.63 -2.17 115.31 121.14 1om2 h LEU 43 Ca 0.30 -0.55 0.21 0.00 0.84 0.00 0.00 57.88 58.68 1om2 h LEU 43 Cb -0.08 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.71 1om2 h LEU 43 CO -0.07 0.95 0.62 0.74 -0.34 0.00 0.00 178.44 180.34 1om2 h THR 44 N 0.05 0.65 -0.18 1.05 2.02 0.41 0.15 112.91 117.05 1om2 h THR 44 Ca 0.01 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1om2 h THR 44 Cb 0.87 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1om2 h THR 44 CO 0.06 0.11 0.00 0.78 0.37 0.00 0.00 175.52 176.84 1om2 h ASN 45 N 0.59 0.31 -0.50 4.18 2.35 -0.55 -0.26 115.58 121.70 1om2 h ASN 45 Ca 0.56 -0.30 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 1om2 h ASN 45 Cb 1.11 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.33 1om2 h ASN 45 CO -0.32 0.54 0.08 0.00 -1.65 0.00 0.00 177.43 176.08 1om2 h ALA 46 N 0.78 0.55 -0.87 -0.83 0.00 -0.11 -0.49 119.26 118.30 1om2 h ALA 46 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1om2 h ALA 46 Cb 0.38 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1om2 h ALA 46 CO 0.01 -0.32 0.43 0.82 0.00 0.00 0.00 179.25 180.19 1om2 h ILE 47 N 0.21 1.26 -0.20 0.00 5.03 -0.99 0.05 117.51 122.87 1om2 h ILE 47 Ca 0.25 -0.71 -0.02 0.00 -0.12 0.00 0.00 64.86 64.26 1om2 h ILE 47 Cb 0.35 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1om2 h ILE 47 CO -0.35 0.31 0.03 0.00 -0.68 0.00 0.00 178.15 177.46 1om2 h ALA 48 N 1.24 1.68 0.00 1.87 0.00 0.53 0.13 119.26 124.70 1om2 h ALA 48 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1om2 h ALA 48 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1om2 h ALA 48 CO -0.04 0.25 -1.43 1.33 0.00 0.00 0.00 179.25 179.36 1om2 n VAL 49 N -4.40 0.01 -0.09 0.00 0.24 -0.63 -4.51 118.33 108.96 1om2 n VAL 49 Ca 0.00 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 1om2 n VAL 49 Cb 0.16 0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 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 1.54 1.32 2.45 0.00 0.00 0.40 -4.94 105.19 105.95 1om2 n GLY 51 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 2.35 -0.01 1.61 -0.06 -1.26 -4.97 117.38 113.04 1om2 n GLN 52 Ca 0.00 -4.47 -0.09 0.00 -2.00 0.00 0.00 57.00 50.44 1om2 n GLN 52 Cb 0.00 -2.10 -0.03 0.00 -4.06 0.00 0.00 30.24 24.05 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 3.95 -0.22 -0.53 3.69 0.13 -1.92 -2.88 132.00 134.23 1om2 h PRO 53 Ca 0.17 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.40 1om2 h PRO 53 Cb 0.68 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.78 1om2 h PRO 53 CO 0.78 -0.14 0.13 1.96 -0.23 0.00 0.00 178.00 180.49 1om2 h GLN 54 N -0.23 0.27 -0.49 0.86 4.20 -1.98 0.22 115.11 117.96 1om2 h GLN 54 Ca 0.11 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1om2 h GLN 54 Cb 0.38 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1om2 h GLN 54 CO -0.28 0.18 0.21 0.37 -0.67 0.00 0.00 178.83 178.64 1om2 h GLN 55 N 0.27 0.41 -0.65 1.46 5.75 -1.95 -0.17 115.11 120.22 1om2 h GLN 55 Ca 0.27 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.69 1om2 h GLN 55 Cb 0.35 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1om2 h GLN 55 CO -0.33 0.27 0.22 1.25 -2.65 0.00 0.00 178.83 177.59 1om2 h LEU 56 N 0.42 0.94 -1.02 -2.39 5.85 -0.96 -0.09 115.31 118.07 1om2 h LEU 56 Ca 0.22 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1om2 h LEU 56 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1om2 h LEU 56 CO -0.19 0.88 0.32 -0.07 -0.34 0.00 0.00 178.44 179.04 1om2 h LEU 57 N 0.94 0.93 -0.33 2.25 3.38 0.28 0.10 115.31 122.86 1om2 h LEU 57 Ca 0.21 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1om2 h LEU 57 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1om2 h LEU 57 CO -0.01 0.80 -0.01 1.56 0.09 0.00 0.00 178.44 180.87 1om2 h GLN 58 N 1.01 0.59 -0.13 1.13 7.50 -0.75 -1.07 115.11 123.39 1om2 h GLN 58 Ca 0.24 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 1om2 h GLN 58 Cb 0.14 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 1om2 h GLN 58 CO -0.03 0.72 -0.01 -0.24 -1.50 0.00 0.00 178.83 177.78 1om2 h VAL 59 N 0.39 1.09 0.12 -0.54 3.04 -0.34 -0.48 116.25 119.54 1om2 h VAL 59 Ca 0.09 -0.36 -0.29 0.00 -1.01 0.00 0.00 66.70 65.14 1om2 h VAL 59 Cb 0.46 1.01 0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1om2 h VAL 59 CO 0.02 0.12 -1.23 -0.07 -1.01 0.00 0.00 177.57 175.39 1om2 h LEU 60 N 0.18 0.77 -1.59 3.16 -0.00 -0.62 -3.13 115.31 114.09 1om2 h LEU 60 Ca 0.04 -0.73 -0.05 0.00 -0.00 0.00 0.00 57.88 57.15 1om2 h LEU 60 Cb 0.14 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1om2 h LEU 60 CO 0.00 1.54 -0.21 -0.61 -0.00 0.00 0.00 178.44 179.16 1om2 h GLN 61 N 0.23 0.00 -0.22 1.13 4.15 -0.44 -1.57 115.11 118.40 1om2 h GLN 61 Ca -0.17 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.05 1om2 h GLN 61 Cb 1.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.60 1om2 h GLN 61 CO 0.23 0.21 -0.63 -0.56 -1.93 0.00 0.00 178.83 176.16 1om2 h GLN 62 N 0.00 0.77 0.23 1.69 -0.00 -1.08 -3.30 115.11 113.41 1om2 h GLN 62 Ca -0.00 -0.53 -0.31 0.00 -0.00 0.00 0.00 58.65 57.80 1om2 h GLN 62 Cb 0.48 0.08 0.04 0.00 -0.00 0.00 0.00 27.48 28.08 1om2 h GLN 62 CO 0.03 1.16 -1.36 0.00 -0.00 0.00 0.00 178.83 178.65 1om2 h THR 63 N 0.57 1.32 -1.71 1.86 1.03 -1.44 -3.49 112.91 111.05 1om2 h THR 63 Ca -0.01 -2.65 0.07 0.00 -0.01 0.00 0.00 66.41 63.81 1om2 h THR 63 Cb 1.23 3.05 -0.21 0.00 -1.07 0.00 0.00 68.15 71.14 1om2 h THR 63 CO 0.13 0.79 0.51 -1.48 -0.01 0.00 0.00 175.52 175.46 1om2 s LEU 64 N -7.67 -0.39 -0.19 0.00 0.05 -0.61 -5.12 118.68 104.75 1om2 s LEU 64 Ca -0.10 0.37 -0.29 0.00 0.05 0.00 0.00 54.13 54.16 1om2 s LEU 64 Cb 0.04 1.94 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 1om2 s LEU 64 CO 0.93 -0.41 1.75 -2.16 -0.55 0.00 0.00 176.35 175.92 1om2 s PRO 65 N -1.43 3.74 -0.42 1.48 0.04 -1.26 -3.94 135.00 133.22 1om2 s PRO 65 Ca -0.01 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 1om2 s PRO 65 Cb -0.00 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.45 1om2 s PRO 65 CO 0.01 -1.37 0.90 -1.25 0.04 0.00 0.00 177.00 175.33 1om2 s PRO 66 N 4.90 3.66 0.10 0.56 0.04 -1.26 -4.92 135.00 138.08 1om2 s PRO 66 Ca 0.78 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 1om2 s PRO 66 Cb -0.28 -3.87 -0.16 0.00 0.04 0.00 0.00 34.50 30.23 1om2 s PRO 66 CO 0.32 -1.08 1.25 -1.00 0.04 0.00 0.00 177.00 176.53 1om2 h PRO 67 N 8.79 0.57 -0.37 0.56 0.13 -2.02 -3.27 132.00 136.40 1om2 h PRO 67 Ca -0.24 -0.60 0.07 0.00 -0.87 0.00 0.00 66.00 64.36 1om2 h PRO 67 Cb 1.08 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1om2 h PRO 67 CO 0.99 1.22 -0.01 0.28 -0.23 0.00 0.00 178.00 180.25 1om2 h VAL 68 N 0.33 0.71 -0.91 1.56 2.07 -1.96 -1.30 116.25 116.74 1om2 h VAL 68 Ca -0.10 -0.03 0.26 0.00 0.82 0.00 0.00 66.70 67.65 1om2 h VAL 68 Cb 1.62 0.61 -0.15 0.00 -1.52 0.00 0.00 31.29 31.85 1om2 h VAL 68 CO 0.18 0.02 0.26 0.15 0.02 0.00 0.00 177.57 178.20 1om2 h PHE 69 N 0.09 0.39 -0.22 1.57 3.04 -1.98 0.38 116.94 120.20 1om2 h PHE 69 Ca 0.18 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 1om2 h PHE 69 Cb 0.26 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1om2 h PHE 69 CO -0.27 -0.24 0.09 0.37 -2.02 0.00 0.00 178.31 176.24 1om2 h GLN 70 N 0.19 0.31 0.04 1.11 4.15 -1.33 -1.15 115.11 118.43 1om2 h GLN 70 Ca 0.59 -0.03 -0.31 0.00 0.77 0.00 0.00 58.65 59.67 1om2 h GLN 70 Cb 1.24 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 1om2 h GLN 70 CO -0.69 0.26 -1.80 -0.12 -1.93 0.00 0.00 178.83 174.55 1om2 n MET 71 N -4.44 0.67 -0.18 1.69 1.56 0.59 -3.54 117.12 113.47 1om2 n MET 71 Ca 0.00 0.29 -0.05 0.00 -0.27 0.00 0.00 57.70 57.67 1om2 n MET 71 Cb 0.12 -1.77 0.05 0.00 2.15 0.00 0.00 33.22 33.78 1om2 n MET 71 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1om2 h LEU 72 N 0.02 0.48 -1.45 -0.89 5.85 0.06 0.40 115.31 119.78 1om2 h LEU 72 Ca -0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1om2 h LEU 72 Cb 2.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1om2 h LEU 72 CO 0.08 0.33 0.00 -0.07 -0.34 0.00 0.00 178.44 178.44 1om2 h LEU 73 N 0.60 0.00 0.00 2.25 3.38 -1.36 -1.96 115.31 118.23 1om2 h LEU 73 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1om2 h LEU 73 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1om2 h LEU 73 CO -0.12 0.00 -1.81 1.07 0.09 0.00 0.00 178.44 177.67 1om2 n THR 74 N -2.81 0.52 0.02 0.22 5.66 -0.32 -4.28 114.28 113.29 1om2 n THR 74 Ca 0.00 -0.60 -0.19 0.00 -3.05 0.00 0.00 64.05 60.22 1om2 n THR 74 Cb 0.24 -0.24 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.56 -0.17 1.09 1.63 0.29 -3.36 116.57 116.61 1om2 h LYS 75 Ca -0.12 -0.60 0.02 0.00 -0.85 0.00 0.00 60.65 59.10 1om2 h LYS 75 Cb 1.30 0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 33.06 1om2 h LYS 75 CO 0.01 1.22 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.89 1om2 h LEU 76 N 0.14 -0.91-10.00 5.20 3.38 -1.56 -3.40 115.31 108.17 1om2 h LEU 76 Ca -0.10 0.12 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 1om2 h LEU 76 Cb 1.51 0.37 0.04 0.00 0.09 0.00 0.00 40.66 42.67 1om2 h LEU 76 CO 0.16 -0.21 0.44 -2.16 0.09 0.00 0.00 178.44 176.76 1om2 s PRO 77 N -4.31 3.92 0.06 1.13 0.04 -1.26 -4.90 135.00 129.69 1om2 s PRO 77 Ca -0.07 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1om2 s PRO 77 Cb 0.04 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1om2 s PRO 77 CO 0.30 -0.37 0.00 -2.37 0.04 0.00 0.00 177.00 174.60 1om2 n THR 78 N -0.40 0.00 -0.18 1.26 5.66 -1.26 -4.89 114.28 114.46 1om2 n THR 78 Ca 0.07 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.06 1om2 n THR 78 Cb 0.49 -0.35 0.08 0.00 -1.55 0.00 0.00 70.33 69.00 1om2 n THR 78 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1om2 h ILE 79 N 0.00 0.53 -0.27 1.09 5.03 -1.97 -1.75 117.51 120.17 1om2 h ILE 79 Ca 0.00 -0.03 0.06 0.00 -0.12 0.00 0.00 64.86 64.77 1om2 h ILE 79 Cb 0.00 0.42 -0.07 0.00 -3.03 0.00 0.00 36.82 34.14 1om2 h ILE 79 CO 0.00 0.02 -0.18 -1.28 -0.68 0.00 0.00 178.15 176.03 1om2 h SER 80 N 0.10 -0.58 -0.93 1.72 0.87 -1.99 -0.86 113.55 111.88 1om2 h SER 80 Ca 0.29 0.12 0.10 0.00 -1.23 0.00 0.00 61.79 61.07 1om2 h SER 80 Cb 0.45 0.30 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 1om2 h SER 80 CO -0.50 -0.22 0.60 1.56 -0.53 0.00 0.00 176.83 177.75 1om2 h GLN 81 N -0.16 0.91 -0.63 2.24 7.50 -1.68 -1.76 115.11 121.54 1om2 h GLN 81 Ca 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.21 1om2 h GLN 81 Cb 0.38 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1om2 h GLN 81 CO -0.37 0.60 0.27 -0.09 -1.50 0.00 0.00 178.83 177.75 1om2 h ARG 82 N 0.94 0.93 0.20 1.46 2.43 -0.66 0.08 114.38 119.75 1om2 h ARG 82 Ca 0.43 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1om2 h ARG 82 Cb 0.41 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1om2 h ARG 82 CO -0.19 0.77 -0.09 0.82 -1.51 0.00 0.00 179.97 179.76 1om2 h ILE 83 N 0.88 0.87 -0.73 1.20 1.08 -0.64 -3.00 117.51 117.16 1om2 h ILE 83 Ca 0.21 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1om2 h ILE 83 Cb 0.17 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1om2 h ILE 83 CO -0.02 0.07 0.45 0.58 -0.69 0.00 0.00 178.15 178.54 1om2 h VAL 84 N -0.42 1.08 0.00 1.67 2.07 -1.36 0.44 116.25 119.74 1om2 h VAL 84 Ca -0.03 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1om2 h VAL 84 Cb 0.32 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1om2 h VAL 84 CO 0.04 0.16 -0.13 -1.20 0.02 0.00 0.00 177.57 176.46 1om2 n SER 85 N -4.66 4.93 0.09 0.57 7.64 0.01 -3.75 113.62 118.44 1om2 n SER 85 Ca 0.08 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1om2 n SER 85 Cb 0.11 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 1.95 0.00 -1.53 -0.43 0.00 -0.96 -4.92 120.51 114.61 1om2 n ALA 86 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.14 1om2 n ALA 86 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.90 1.57 0.00 0.00 0.00 0.11 -0.68 117.38 115.47 1om2 n GLN 87 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 1om2 n GLN 87 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 30.24 27.38 1om2 n GLN 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1om2 n SER 88 N 10.68 0.00 -2.50 1.69 2.88 -1.26 -4.87 113.62 120.24 1om2 n SER 88 Ca 0.35 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.77 1om2 n SER 88 Cb 0.34 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.83 1om2 n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1om2 n LEU 89 N 0.00 3.02 0.00 2.46 4.77 0.14 -5.06 117.00 122.33 1om2 n LEU 89 Ca 0.00 -3.93 0.00 0.00 -0.03 0.00 0.00 56.01 52.05 1om2 n LEU 89 Cb 0.00 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1om2 n LEU 89 CO 0.00 1.59 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1om2 n GLY 90 N -0.55 4.12 3.82 -0.72 0.00 -0.56 -4.80 105.19 106.50 1om2 n GLY 90 Ca 0.23 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1om2 n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1om2 s GLU 91 N -1.86 2.05 0.29 1.61 1.03 -1.26 -5.06 118.70 115.50 1om2 s GLU 91 Ca 0.00 0.54 0.10 0.00 0.03 0.00 0.00 54.97 55.63 1om2 s GLU 91 Cb 0.00 -1.92 -0.05 0.00 -0.80 0.00 0.00 34.13 31.36 1om2 s GLU 91 CO 0.00 -1.62 -0.01 -0.51 -1.33 0.00 0.00 175.26 171.79 1om2 s ASP 92 N -4.02 4.36 0.52 0.83 1.11 -1.26 -4.98 116.67 113.24 1om2 s ASP 92 Ca 0.61 -0.78 -0.18 0.00 0.18 0.00 0.00 52.55 52.38 1om2 s ASP 92 Cb -0.14 -0.70 -0.07 0.00 1.07 0.00 0.00 42.92 43.09 1om2 s ASP 92 CO 0.53 -0.07 1.03 -1.81 1.18 0.00 0.00 175.17 176.04 1om2 s ASP 93 N -3.68 6.23 0.14 0.27 1.01 -1.26 -4.85 116.67 114.53 1om2 s ASP 93 Ca 0.32 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.40 1om2 s ASP 93 Cb -0.05 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1om2 s ASP 93 CO 0.19 -0.86 0.00 0.55 0.21 0.00 0.00 175.17 175.26 1om2 n VAL 94 N -1.42 0.00 -1.44 -1.27 3.14 -1.26 -5.34 118.33 110.74 1om2 n VAL 94 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1om2 n VAL 94 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1om2 n VAL 94 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58